38 results on '"Jong-Ha Choi"'
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2. Crystal structure of bis[bis(1,4,7-triazacyclononane-κ3N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data
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Dohyun Moon and Jong-Ha Choi
- Subjects
crystal structure ,1,4,7-triazacyclononane ,tetrachloridozincate ,chromium(III) complex ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, [Cr(tacn)2]2[ZnCl4]3·H2O (tacn is 1,4,7-triazacyclononane; C6H15N3), has been determined from synchrotron X-ray data. Each CrIII cation is coordinated by the six N atoms from the two tacn ligands, displaying a distorted octahedral geometry. Three distorted tetrahedral [ZnCl4]2− anions and one lattice water molecule lie outside this coordination sphere. The Cr—N bond lengths are in the range 2.0621 (11) to 2.0851 (12) Å, while the mean inner N—Cr—N bond angle is 82.51 (5)°. The crystal packing is stabilized by hydrogen-bonding interactions with the N—H groups of the tacn ligands and the water O—H groups acting as donors, and the O atoms of the water molecules and Cl atoms of the [ZnCl4]2− anions as acceptors. Overall these contacts lead to the formation of a three-dimensional network.
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- 2019
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3. Crystal structure of bis[(oxalato-κ2O1,O2)(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III)] dichromate octahydrate from synchrotron X-ray data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,cyclam ,chromium(III) complex ,bidentate oxalato ligand ,cis-V conformation ,dichromate anion ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The asymmetric unit of the title compound, [Cr(C2O4)(C10H24N4)]2[Cr2O7]·8H2O (C10H24N4 = 1,4,8,11-tetraazacyclotetradecane, cyclam; C2O4 = oxalate, ox) contains one [Cr(ox)(cyclam)]+ cation, one half of a dichromate anion that lies about an inversion centre so that the bridging O atom is equally disordered over two positions, and four water molecules. The terminal O atoms of the dichromate anion are also disordered over two positions with a refined occupancy ratio 0.586 (6):0.414 (6). The CrIII ion is coordinated by the four N atoms of the cyclam ligand and one bidentate oxalato ligand in a cis arrangement, resulting in a distorted octahedral geometry. The Cr—N(cyclam) bond lengths are in the range 2.069 (2)–2.086 (2) Å, while the average Cr—O(ox) bond length is 1.936 Å. The macrocyclic cyclam moiety adopts the cis-V conformation. The dichromate anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donors, and the O atoms of oxalate ligand, water molecules and the Cr2O72− anion as acceptors, giving rise to a three-dimensional network.
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- 2017
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4. Crystal structure of bis[cis-(1,4,8,11-tetraazacyclotetradecane-κ4N)bis(thiocyanato-κN)chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data
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Dohyun Moon, Masahiro Takase, Takashiro Akitsu, and Jong-Ha Choi
- Subjects
crystal structure ,cyclam ,chromium(III) complex ,thiocyanate ligand ,cis-V conformation ,dichromate anion ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The structure of the complex salt, cis-[Cr(NCS)2(cyclam)]2[Cr2O7]·H2O (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron data. The asymmetric unit comprises of one [Cr(NCS)2(cyclam)]+ cation, one half of a Cr2O72− anion (completed by inversion symmetry) and one half of a water molecule (completed by twofold rotation symmetry). The CrIII ion is coordinated by the four cyclam N atoms and by two N atoms of cis-arranged thiocyanate anions, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.080 (2) to 2.097 (2) Å while the average Cr—N(NCS) bond length is 1.985 (4) Å. The macrocyclic cyclam moiety adopts the cis-V conformation. The bridging O atom of the dichromate anion is disordered around an inversion centre, leading to a bending of the Cr—O—Cr bridging angle [157.7 (3)°]; the anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donor groups, and the O atoms of the Cr2O72− anion and water molecules as acceptor groups, giving rise to a three-dimensional network.
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- 2017
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5. Crystal structure of cis-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III) (oxalato-κ2O1,O2)(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III) bis(perchlorate) from synchrotron data
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Dohyun Moon and Jong-Ha Choi
- Subjects
crystal structure ,cyclam ,synchrotron radiation ,chromium(III) complex ,chloride ligand ,oxalato ligand ,cis-V conformation ,hydrogen bonding ,Crystallography ,QD901-999 - Abstract
In the asymmetric unit of the title compound, [CrCl2(C10H24N4)][Cr(C2O4)(C10H24N4)](ClO4)2 (C10H24N4 = 1,4,8,11-tetraazacyclotetradecane, cyclam; C2O4 = oxalate, ox), there are two independent halves of the [CrCl2(cyclam)]+ and [Cr(ox)(cyclam)]+ cations, and one perchlorate anion. In the complex cations, which are completed by application of twofold rotation symmetry, the CrIII ions are coordinated by the four N atoms of a cyclam ligand, and by two chloride ions or one oxalate bidentate ligand in a cis arrangement, displaying an overall distorted octahedral coordination environment. The Cr—N(cyclam) bond lengths are in the range of 2.075 (5) to 2.096 (4) Å while the Cr—Cl and Cr—O(ox) bond lengths are 2.3358 (14) and 1.956 (4) Å, respectively. Both cyclam moieties adopt the cis-V conformation. The slightly distorted tetrahedral ClO4− anion remains outside the coordination sphere. The supramolecular architecture includes N—H...O and N—H...Cl hydrogen bonding between cyclam NH donor groups, O atoms of the oxalate ligand or ClO4− anions and one Cl ligand as acceptors, leading to a three-dimensional network structure.
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- 2016
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6. Crystal structure of bis[trans-dichloridobis(propane-1,3-diamine-κ2N,N′)chromium(III)] dichromate from synchrotron data
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Dohyun Moon, Keon Sang Ryoo, and Jong-Ha Choi
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crystal structure ,propane-1,3-diamine ,chloride ligand ,trans–anti conformation ,chromium(III) complex ,dichromate anion ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, [CrCl2(tn)2]2[Cr2O7] (tn = propane-1,3-diamine; C3H10N2), has been determined from synchrotron data. The asymmetric unit contains one CrIII complex cation and half a [Cr2O7]2− anion. In the complex cation, the CrIII ion is coordinated by the four N atoms of two propane-1,3-diamine (tn) ligands in the equatorial plane and by two Cl atoms in a trans configuration, displaying a distorted octahedral coordination sphere. The two six-membered rings in the complex cation have an anti chair–chair conformation with respect to each other. The mean Cr—N(tn) and Cr—Cl bond lengths are 2.09 (1) and 2.320 (2) Å, respectively. The slightly bent dichromate anion is disordered over two sets of sites (occupancy ratio = 0.7:0.3) and has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH2 groups of the tn ligands as donors and the O atoms of the [Cr2O7]2− anion and chlorido ligands as acceptors.
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- 2016
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7. Crystal structure of tris(trans-1,2-cyclohexanediamine-κ2N,N′)chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,1,2-cyclohexanediamine ,tetrachloridozincate chloride double salt ,chromium(III) complex ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The structure of the title double salt, [Cr(rac-chxn)3][ZnCl4]Cl·3H2O (chxn is trans-1,2-cyclohexanediamine; C6H14N2), has been determined from synchrotron data. The CrIII ion is coordinated by six N atoms of three chelating chxn ligands, displaying a slightly distorted octahedral coordination environment. The distorted tetrahedral [ZnCl4]2− anion, the isolated Cl− anion and three lattice water molecules remain outside the coordination sphere. The Cr—N(chxn) bond lengths are in a narrow range between 2.0737 (12) and 2.0928 (12) Å; the mean N—Cr—N bite angle is 82.1 (4)°. The crystal packing is stabilized by hydrogen-bonding interactions between the amino groups of the chxn ligands and the water molecules as donor groups, and O atoms of the water molecules, chloride anions and Cl atoms of the [ZnCl4]2− anions as acceptor groups, leading to the formation of a three-dimensional network. The [ZnCl4]2− anion is disordered over two sets of sites with an occupancy ratio of 0.94:0.06.
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- 2016
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8. Crystal structure of trans-diammine(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III) tetrachloridozincate chloride monohydrate from synchrotron data
- Author
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,cyclam ,ammine ligand ,tetrachloridozincate chloride double salt ,trans-III conformation ,chromium(III) complex ,Crystallography ,QD901-999 - Abstract
The asymmetric unit of the title complex salt, [Cr(C10H24N4)(NH3)2][ZnCl4]Cl·H2O, is comprised of four halves of the CrIII complex cations (the counterparts being generated by application of inversion symmetry), two tetrachloridozincate anions, two chloride anions and two water molecules. Each CrIII ion is coordinated by the four N atoms of the cyclam (1,4,8,11-tetraazacyclotetradecane) ligand in the equatorial plane and by two N atoms of ammine ligands in axial positions, displaying an overall distorted octahedral coordination environment. The Cr—N(cyclam) bond lengths range from 2.0501 (15) to 2.0615 (15) Å, while the Cr—(NH3) bond lengths range from 2.0976 (13) to 2.1062 (13) Å. The macrocyclic cyclam moieties adopt the trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The [ZnCl4]2− anions have a slightly distorted tetrahedral shape. In the crystal, the Cl− anions link the complex cations, as well as the solvent water molecules, through N—H...Cl and O—H...Cl hydrogen-bonding interactions. The supramolecular set-up also includes N—H...Cl, C—H...Cl, N—H...O and O—H...Cl hydrogen bonding between N—H or C—H groups of cyclam, ammine N—H and water O—H donor groups, and O atoms of the water molecules, Cl− anions or Cl atoms of the [ZnCl4]2− anions as acceptors, leading to a three-dimensional network structure.
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- 2016
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9. Crystal structure of trans-dichlorido(1,4,8,11-tetraazaundecane-κ4N)chromium(III) perchlorate determined from synchrotron data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,1,4,8,11-tetraazaundecane ,chloride ligand ,trans–meso (RS) conformation ,chromium(III) complex ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The structure of the title complex, [CrCl2(2,3,2-tet)]ClO4 (2,3,2-tet is 1,4,8,11-tetraazaundecane, C7H20N4), has been determined from synchrotron data. The CrIII ion is coordinated by the four N atoms of the 1,4,8,11-tetraazaundecane ligand in the equatorial plane and two chloride ions in an axial arrangement, displaying a slightly distorted octahedral coordination environment. The two H atoms of the secondary amines are grouped on the same side of the equatorial N4 plane (meso-RS conformation). The Cr—N bond lengths range from 2.069 (2) to 2.084 (2) Å, while the mean Cr—Cl bond length is 2.325 (2) Å. The crystal structure is stabilized by intermolecular hydrogen-bonding interactions between the primary and secondary amine groups of the 2,3,2-tet ligands, the Cl ligands and the O atoms of the perchlorate counter-anion, forming corrugated layers parallel to (010).
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- 2016
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10. Crystal structure of hexakis(urea-κO)chromium(III) dichromate bromide monohydrate from synchrotron X-ray data
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Dohyun Moon, Shinnosuke Tanaka, Takashiro Akitsu, and Jong-Ha Choi
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crystal structure ,chromium(III) complex ,urea ligand ,bromide salt ,hydrogen bonding ,synchrotron data ,Crystallography ,QD901-999 - Abstract
The title bromide salt, [Cr{CO(NH2)2}6](Cr2O7)Br·H2O, is isotypic to the corresponding chloride salt. Within the complex cation, the CrIII atom is coordinated by six O atoms of six urea ligands, displaying a slightly distorted octahedral coordination environment. The Cr—O bond lengths involving the urea ligands are in the range 1.9534 (13)–1.9776 (12) Å. The Cr2O72− anion has a nearly staggered conformation, with a bridging angle of 130.26 (10)°. The individual components are arranged in rows extending parallel to [100]. The Br− anion links the complex cation, as well as the solvent water molecule, through N—H...Br and O—H...Br hydrogen-bonding interactions. The supramolecular architecture also includes N—H...O and O—H...O hydrogen bonding between urea N—H and water O—H donor groups and the O atoms of the Cr2O72− anion as acceptor atoms, leading to a three-dimensional network structure.
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- 2015
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11. Crystal structure of trans-bis(ethane-1,2-diamine-κ2N,N′)bis(thiocyanato-κN)chromium(III) perchlorate from synchrotron data
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Dohyun Moon and Jong-Ha Choi
- Subjects
crystal structure ,synchrotron radiation ,ethane-1,2-diamine ,thiocyanate ,trans-geometry ,chromium(III) complex ,hydrogen bonds ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, [Cr(NCS)2(C2H8N2)2]ClO4, has been determined from synchroton data. The asymmetric unit consists of one half of a centrosymmetric CrIII complex cation and half of a perchlorate anion with the Cl atom on a twofold rotation axis. The CrIII ion is coordinated by the four N atoms of two ethane-1,2-diamine (en) ligands in the equatorial plane and two N-bound thiocyanate (NCS−) anions in a trans-axial arrangement, displaying a slightly distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(en) bond lengths are in the range 2.053 (16)–2.09 (2) Å, while the Cr—N(thiocyanate) bond length is 1.983 (2) Å. The five-membered en rings are disordered over two sites, with occupancy ratios of 0.522 (16):0.478 (16). Each ClO4− anion is disordered over two sites with equal occupancy. The crystal structure is stabilized by intermolecular hydrogen bonds involving the en NH2 groups as donors and perchlorate O and thiocyanate S atoms as acceptors.
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- 2015
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12. Crystal structure of bis[trans-(1,4,8,11-tetraazacyclotetradecane-κ4N)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data
- Author
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Dohyun Moon, Keon Sang Ryoo, and Jong-Ha Choi
- Subjects
crystal structure ,synchrotron radiation ,cyclam ,thiocyanate ligand ,trans-III configuration ,chromium(III) complex ,hydrogen bonding ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, [Cr(NCS)2(cyclam)]2[ZnCl4] (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron data. The asymmetric unit contains two independent halves of the CrIII complex cations and half of a tetrachloridozincate anion. In each complex cation, the CrIII atom is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and by two N-bound NCS− anions in a trans axial arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry. The mean Cr—N(cyclam) and Cr—N(NCS) bond lengths are 2.065 (4) and 1.995 (6) Å, respectively. The macrocyclic cyclam moieties adopt centrosymmetric trans-III configurations with six- and five-membered chelate rings in chair and gauche configurations, respectively. The [ZnCl4]2− anion, which lies about a twofold rotation axis, has a slightly distorted tetrahedral geometry. The crystal packing is stabilized by hydrogen-bonding interactions between the N—H groups of the cyclam ligands, the S atoms of the NCS− groups and the Cl− ligands of the anion.
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- 2015
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13. Crystal structure of bis[trans-(ethane-1,2-diamine-κ2N,N′)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data
- Author
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Dohyun Moon and Jong-Ha Choi
- Subjects
Crystal structure ,ethane-1,2-diamine ,thiocyanate ,trans isomer ,chromium(III) complex ,synchrotron data ,hydrogen bonds ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, [Cr(NCS)2(C2H8N2)2]2[ZnCl4], has been determined from synchrotron data. In the asymmetric unit, there are four independent halves of the CrIII complex cations, each of which lies on an inversion centre, and one tetrachloridozincate anion in a general position. The CrIII atoms are coordinated by the four N atoms of two ethane-1,2-diamine (en) ligands in the equatorial plane and two N-bound NCS− anions in a trans arrangement, displaying a slightly distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(en) and Cr—N(NCS) bond lengths range from 2.0653 (10) to 2.0837 (10) Å and from 1.9811 (10) to 1.9890 (10) Å, respectively. The five-membered metalla-rings are in stable gauche conformations. The [ZnCl4]2− anion has a distorted tetrahedral geometry. The crystal structure is stabilized by intermolecular hydrogen bonds involving the en NH2 or CH2 groups as donors and chloride ligands of the anion and S atoms of NCS− ligands as acceptors.
- Published
- 2015
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14. Crystal structure of trans-difluoridotetrakis(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate from synchrotron data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,fluoride ligand ,pyridine ligand ,trans-isomer ,chromium(III) complex ,Crystallography ,QD901-999 - Abstract
In the asymmetric unit of the title compound, [CrF2(C5H5N)4][ZnCl3(C5H5N)]·H2O, there are two independent complex cations, one trichlorido(pyridine-κN)zincate anion and one solvent water molecule. The cations lie on inversion centers. The CrIII ions are coordinated by four pyridine (py) N atoms in the equatorial plane and two F atoms in a trans axial arrangement, displaying a slightly distorted octahedral geometry. The Cr—N(py) bond lengths are in the range 2.0873 (14) to 2.0926 (17) Å while the Cr—F bond lengths are 1.8609 (10) and 1.8645 (10) Å. The [ZnCl3(C5H5N)]− anion has a distorted tetrahedral geometry. The Cl atoms of the anion were refined as disordered over two sets of sites in a 0.631 (9):0.369 (9) ratio. In the crystal, two anions and two water molecules are linked via O—H...Cl hydrogen bonds, forming centrosymmetric aggregates. In addition, weak C—H...Cl, C—H...π and π–π stacking interactions [centroid–centroid distances = 3.712 (2) and 3.780 (2)Å] link the components of the structure into a three-dimensional network.
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- 2014
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15. Crystal structure of cis-aquabis(2,2′-bipyridine-κ2N,N′)chloridochromium(III) tetrachloridozincate determined from synchrotron data
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Dohyun Moon, Keon Sang Ryoo, and Jong-Ha Choi
- Subjects
crystal structure ,synchrotron radiation ,2,2′-bipyridine ,chloride ligand ,aqua ligand ,cis-geometry ,chromium(III) complex ,Crystallography ,QD901-999 - Abstract
The structure of the title salt, [CrCl(C10H8N2)2(H2O)][ZnCl4], has been determined from synchrotron data. The CrIII ion is coordinated by four N atoms from two 2,2′-bipyridine (bipy) ligands, one O atom from a water molecule and a chloride anion in a cis arrangement, displaying a distorted octahedral geometry. The tetrahedral [ZnCl4]2− anion is slightly distorted owing to its involvement in O—H...Cl hydrogen bonding with the coordinating water molecule. The Cr—N(bipy) bond lengths are in the range 2.0485 (13)–2.0632 (12) Å, while the Cr—Cl and Cr—(OH2) bond lengths are 2.2732 (6) and 1.9876 (12) Å, respectively. In the crystal, molecules are stacked along the a axis.
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- 2016
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16. Crystal structure of cis-aquachloridobis(1,10-phenanthroline-κ2N,N′)chromium(III) tetrachloridozincate monohydrate from synchrotron data
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Dohyun Moon and Jong-Ha Choi
- Subjects
crystal structure ,synchrotron radiation ,1,10-phenanthroline ,chloride ligand ,aqua ligand ,cis-geometry ,chromium(III) complex ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, [CrCl(C12H8N2)2(H2O)][ZnCl4]·H2O, has been determined from synchrotron data. The CrIII ion is bonded to four N atoms from two 1,10-phenanthroline (phen) ligands, one water molecule and a Cl atom in a cis arrangement, displaying an overall distorted octahedral coordination environment. The Cr—N(phen) bond lengths are in the range of 2.0495 (18) to 2.0831 (18) Å, while the Cr—Cl and Cr—(OH2) bond lengths are 2.2734 (7) and 1.9986 (17) Å, respectively. The tetrahedral [ZnCl4]2− anion is slightly distorted owing to its involvement in O—H...Cl hydrogen bonding with coordinating and non-coordinating water molecules. The two types of water molecules also interact through O—H...O hydrogen bonds. The observed hydrogen-bonding pattern leads to the formation of a three-dimensional network structure.
- Published
- 2015
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17. Crystal structure of bis[bis(1,4,7-triazacyclononane-κ3 N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data
- Author
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Jong-Ha Choi and Dohyun Moon
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crystal structure ,Coordination sphere ,Crystal structure ,1,4,7-triazacyclononane ,010402 general chemistry ,01 natural sciences ,Research Communications ,chromium(III) complex ,chemistry.chemical_compound ,General Materials Science ,tetrachloridozincate ,1,4,7-triazacyclononane ,Crystallography ,tetrachloridozincate ,biology ,synchrotron radiation ,010405 organic chemistry ,Chemistry ,Hydrogen bond ,General Chemistry ,hydrogen bonding ,Condensed Matter Physics ,biology.organism_classification ,0104 chemical sciences ,Bond length ,Molecular geometry ,QD901-999 ,Tetra ,Nonane ,Zincate - Abstract
Each CrIII cation in the title compound is coordinated by the six N atoms from two 1,4,7-triazacyclononane (tacn) ligands, displaying a distorted octahedral environment. The crystal packing is stabilized by extensive hydrogen-bonding interactions involving the N—H groups of the tacn ligands, O—H groups or O atoms of the water molecules and Cl atoms of the [ZnCl4]2− anions., The structure of the title compound, [Cr(tacn)2]2[ZnCl4]3·H2O (tacn is 1,4,7-triazacyclononane; C6H15N3), has been determined from synchrotron X-ray data. Each CrIII cation is coordinated by the six N atoms from the two tacn ligands, displaying a distorted octahedral geometry. Three distorted tetrahedral [ZnCl4]2− anions and one lattice water molecule lie outside this coordination sphere. The Cr—N bond lengths are in the range 2.0621 (11) to 2.0851 (12) Å, while the mean inner N—Cr—N bond angle is 82.51 (5)°. The crystal packing is stabilized by hydrogen-bonding interactions with the N—H groups of the tacn ligands and the water O—H groups acting as donors, and the O atoms of the water molecules and Cl atoms of the [ZnCl4]2− anions as acceptors. Overall these contacts lead to the formation of a three-dimensional network.
- Published
- 2019
18. Crystal structure of bis[cis-(1,4,8,11-tetraazacyclotetradecane-κ4N)bis(thiocyanato-κN)chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data
- Author
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Takashiro Akitsu, Dohyun Moon, Masahiro Takase, and Jong-Ha Choi
- Subjects
crystal structure ,Coordination sphere ,Stereochemistry ,Thio ,Crystal structure ,cyclam ,Staggered conformation ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,01 natural sciences ,chromium(III) complex ,chemistry.chemical_compound ,Cyclam ,Moiety ,General Materials Science ,dichromate anion ,Crystallography ,Hydrogen bond ,synchrotron radiation ,General Chemistry ,Condensed Matter Physics ,thiocyanate ligand ,hydrogen bonding ,0104 chemical sciences ,Bond length ,chemistry ,cis-V conformation ,QD901-999 - Abstract
The structure of the complex salt,cis-[Cr(NCS)2(cyclam)]2[Cr2O7]·H2O (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron data. The asymmetric unit comprises of one [Cr(NCS)2(cyclam)]+cation, one half of a Cr2O72−anion (completed by inversion symmetry) and one half of a water molecule (completed by twofold rotation symmetry). The CrIIIion is coordinated by the four cyclam N atoms and by two N atoms ofcis-arranged thiocyanate anions, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.080 (2) to 2.097 (2) Å while the average Cr—N(NCS) bond length is 1.985 (4) Å. The macrocyclic cyclam moiety adopts thecis-V conformation. The bridging O atom of the dichromate anion is disordered around an inversion centre, leading to a bending of the Cr—O—Cr bridging angle [157.7 (3)°]; the anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donor groups, and the O atoms of the Cr2O72−anion and water molecules as acceptor groups, giving rise to a three-dimensional network.
- Published
- 2017
19. Crystal structure of bis[trans-dichloridobis(propane-1,3-diamine-κ2N,N′)chromium(III)] dichromate from synchrotron data
- Author
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Keon Sang Ryoo, Dohyun Moon, and Jong-Ha Choi
- Subjects
crystal structure ,Coordination sphere ,Stereochemistry ,chemistry.chemical_element ,Crystal structure ,Staggered conformation ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,01 natural sciences ,Ion ,Research Communications ,chromium(III) complex ,lcsh:Chemistry ,Chromium ,General Materials Science ,dichromate anion ,chloride ligand ,Chemistry ,Hydrogen bond ,synchrotron radiation ,General Chemistry ,Condensed Matter Physics ,hydrogen bonding ,propane-1,3-diamine ,0104 chemical sciences ,propane-1,3-diamine ,Bond length ,Crystallography ,lcsh:QD1-999 ,trans–anti conformation ,Amine gas treating - Abstract
In the title organic–inorganic salt, [CrCl2(tn)2]2[Cr2O7] (tn is propane-1,3-diamine), the CrIII ions are coordinated by four N atoms from two tn ligands and two chloride ions in a trans geometry, displaying a distorted octahedral arrangement. The crystal packing is stabilized by N—H⋯Cl and N—H⋯O hydrogen bonds., The structure of the title compound, [CrCl2(tn)2]2[Cr2O7] (tn = propane-1,3-diamine; C3H10N2), has been determined from synchrotron data. The asymmetric unit contains one CrIII complex cation and half a [Cr2O7]2− anion. In the complex cation, the CrIII ion is coordinated by the four N atoms of two propane-1,3-diamine (tn) ligands in the equatorial plane and by two Cl atoms in a trans configuration, displaying a distorted octahedral coordination sphere. The two six-membered rings in the complex cation have an anti chair–chair conformation with respect to each other. The mean Cr—N(tn) and Cr—Cl bond lengths are 2.09 (1) and 2.320 (2) Å, respectively. The slightly bent dichromate anion is disordered over two sets of sites (occupancy ratio = 0.7:0.3) and has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH2 groups of the tn ligands as donors and the O atoms of the [Cr2O7]2− anion and chlorido ligands as acceptors.
- Published
- 2016
20. Crystal structure of trans-bis(ethane-1,2-diamine-κ2N,N′)bis(thiocyanato-κN)chromium(III) perchlorate from synchrotron data
- Author
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Jong-Ha Choi and Dohyun Moon
- Subjects
crystal structure ,Thio ,ethane-1,2-diamine ,Crystal structure ,trans-geometry ,Ion ,Research Communications ,chromium(III) complex ,Perchlorate ,chemistry.chemical_compound ,Diamine ,General Materials Science ,ethane-1,2-diamine ,thiocyanate ,thiocyanate ,Crystallography ,Thiocyanate ,Hydrogen bond ,synchrotron radiation ,General Chemistry ,Condensed Matter Physics ,Bond length ,chemistry ,QD901-999 ,hydrogen bonds - Abstract
The centrosymmetric CrIII ion in the title compound shows a distorted octahedral coordination with four N atoms of two ethane-1,2-diamine ligands in the equatorial plane and two N-coordinated NCS− groups in trans-axial positions. The ethane-1,2-diamine ligand in the complex cation and the ClO4 − anion are both disordered., The structure of the title compound, [Cr(NCS)2(C2H8N2)2]ClO4, has been determined from synchroton data. The asymmetric unit consists of one half of a centrosymmetric CrIII complex cation and half of a perchlorate anion with the Cl atom on a twofold rotation axis. The CrIII ion is coordinated by the four N atoms of two ethane-1,2-diamine (en) ligands in the equatorial plane and two N-bound thiocyanate (NCS−) anions in a trans-axial arrangement, displaying a slightly distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(en) bond lengths are in the range 2.053 (16)–2.09 (2) Å, while the Cr—N(thiocyanate) bond length is 1.983 (2) Å. The five-membered en rings are disordered over two sites, with occupancy ratios of 0.522 (16):0.478 (16). Each ClO4 − anion is disordered over two sites with equal occupancy. The crystal structure is stabilized by intermolecular hydrogen bonds involving the en NH2 groups as donors and perchlorate O and thiocyanate S atoms as acceptors.
- Published
- 2015
21. Crystal structure of bis[trans-(ethane-1,2-diamine-κ2 N,N′)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data
- Author
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Dohyun Moon and Jong-Ha Choi
- Subjects
Thio ,ethane-1,2-diamine ,Crystal structure ,synchrotron data ,Chloride ,Research Communications ,chromium(III) complex ,chemistry.chemical_compound ,medicine ,General Materials Science ,ethane-1,2-diamine ,thiocyanate ,thiocyanate ,Crystallography ,Thiocyanate ,Chemistry ,Hydrogen bond ,General Chemistry ,Condensed Matter Physics ,Bond length ,QD901-999 ,hydrogen bonds ,Cis–trans isomerism ,trans isomer ,Zincate ,medicine.drug - Abstract
The CrIII atoms in the title compound show a distorted octahedral coordination with four N atoms of two ethane-1,2-diamine ligands (en) in the equatorial plane and two N-coordinated NCS− groups in axial positions. The [ZnCl4]2− anion has a slightly distorted tetrahedral geometry., The structure of the title compound, [Cr(NCS)2(C2H8N2)2]2[ZnCl4], has been determined from synchrotron data. In the asymmetric unit, there are four independent halves of the CrIII complex cations, each of which lies on an inversion centre, and one tetrachloridozincate anion in a general position. The CrIII atoms are coordinated by the four N atoms of two ethane-1,2-diamine (en) ligands in the equatorial plane and two N-bound NCS− anions in a trans arrangement, displaying a slightly distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(en) and Cr—N(NCS) bond lengths range from 2.0653 (10) to 2.0837 (10) Å and from 1.9811 (10) to 1.9890 (10) Å, respectively. The five-membered metalla-rings are in stable gauche conformations. The [ZnCl4]2− anion has a distorted tetrahedral geometry. The crystal structure is stabilized by intermolecular hydrogen bonds involving the en NH2 or CH2 groups as donors and chloride ligands of the anion and S atoms of NCS− ligands as acceptors.
- Published
- 2015
22. Crystal structure of trans-difluoridotetrakis(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate from synchrotron data
- Author
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Dohyun Moon and Jong-Ha Choi
- Subjects
crystal structure ,Crystallography ,Hydrogen bond ,fluoride ligand ,Stacking ,General Chemistry ,Crystal structure ,Condensed Matter Physics ,Bioinformatics ,Research Communications ,chromium(III) complex ,Crystal ,Bond length ,chemistry.chemical_compound ,chemistry ,QD901-999 ,Pyridine ,General Materials Science ,trans-isomer ,Cis–trans isomerism ,Zincate ,pyridine ligand - Abstract
The CrIII atoms in the title compound show a distorted octahedral coordination with four pyridine N atoms in the equatorial plane and two F atoms in axial positions. The [ZnCl3(C5H5N)]− anion has a distorted tetrahedral geometry., In the asymmetric unit of the title compound, [CrF2(C5H5N)4][ZnCl3(C5H5N)]·H2O, there are two independent complex cations, one trichlorido(pyridine-κN)zincate anion and one solvent water molecule. The cations lie on inversion centers. The CrIII ions are coordinated by four pyridine (py) N atoms in the equatorial plane and two F atoms in a trans axial arrangement, displaying a slightly distorted octahedral geometry. The Cr—N(py) bond lengths are in the range 2.0873 (14) to 2.0926 (17) Å while the Cr—F bond lengths are 1.8609 (10) and 1.8645 (10) Å. The [ZnCl3(C5H5N)]− anion has a distorted tetrahedral geometry. The Cl atoms of the anion were refined as disordered over two sets of sites in a 0.631 (9):0.369 (9) ratio. In the crystal, two anions and two water molecules are linked via O—H⋯Cl hydrogen bonds, forming centrosymmetric aggregates. In addition, weak C—H⋯Cl, C—H⋯π and π–π stacking interactions [centroid–centroid distances = 3.712 (2) and 3.780 (2)Å] link the components of the structure into a three-dimensional network.
- Published
- 2014
23. Crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane- κ4N)chromium(III) bis(formamide- κO)(1,4,8,11-tetraazacyclotetradecaneκ 4N)chromium(III) bis[tetrachloridozincate(II)].
- Author
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Moon, Dohyun and Jong-Ha Choi
- Subjects
- *
CRYSTAL structure , *FORMAMIDE , *CHROMIUM , *CHEMICAL bond lengths , *INVERSIONS (Geometry) , *HYDROGEN bonding , *SYNCHROTRON radiation , *CATIONS - Abstract
The structure of the title compound, [CrCl2(C10H24N4)][Cr(HCONH2)2- (C10H24N4)][ZnCl4]2 (C10H24N4 = 1,4,8,11-tetraazacyclotetradecane, cyclam; HCONH2 = formamide, fa), has been determined from synchrotron X-ray data. The asymmetric unit contains two independent halves of the [CrCl2(cyclam)]+ and [Cr(fa)(cyclam)]3+ cations, and one tetrachloridozincate anion. In each complex cation, the CrIII ion is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and two Cl ligands or two O-bonded formamide molecules in a trans axial arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry. The Cr-- N(cyclam) bond lengths are in the range 2.061 (2) to 2.074 (2) A ° , while the Cr--Cl and Cr--O(fa) bond distances are 2.3194 (7) and 1.9953 (19) A ° , respectively. The macrocyclic cyclam moieties adopt the centrosymmetric trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH or CH groups of cyclam and the NH2 group of coordinated formamide as donors, and Cl atoms of the ZnCl4 2- anion as acceptors. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
24. Crystal structure of cis-aquachloridobis(1,10-phenanthroline-κ2N,N′)chromium(III) tetrachloridozincate monohydrate from synchrotron data
- Author
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Jong-Ha Choi and Dohyun Moon
- Subjects
crystal structure ,1,10-phenanthroline ,Phenanthroline ,chemistry.chemical_element ,Crystal structure ,Research Communications ,Ion ,chromium(III) complex ,lcsh:Chemistry ,chemistry.chemical_compound ,Chromium ,General Materials Science ,cis-geometry ,chloride ligand ,biology ,Chemistry ,Hydrogen bond ,synchrotron radiation ,aqua ligand ,General Chemistry ,Condensed Matter Physics ,biology.organism_classification ,Bond length ,Crystallography ,lcsh:QD1-999 ,Tetra ,Zincate - Abstract
The CrIII ion in the title complex is coordinated by two 1,10-phenanthroline (phen) ligands, one water molecule and a chloride in a cis geometry, displaying a distorted octahedral environment. The [ZnCl4]2− anion has a slightly distorted tetrahedral coordination geometry., The structure of the title compound, [CrCl(C12H8N2)2(H2O)][ZnCl4]·H2O, has been determined from synchrotron data. The CrIII ion is bonded to four N atoms from two 1,10-phenanthroline (phen) ligands, one water molecule and a Cl atom in a cis arrangement, displaying an overall distorted octahedral coordination environment. The Cr—N(phen) bond lengths are in the range of 2.0495 (18) to 2.0831 (18) Å, while the Cr—Cl and Cr—(OH2) bond lengths are 2.2734 (7) and 1.9986 (17) Å, respectively. The tetrahedral [ZnCl4]2− anion is slightly distorted owing to its involvement in O—H⋯Cl hydrogen bonding with coordinating and non-coordinating water molecules. The two types of water molecules also interact through O—H⋯O hydrogen bonds. The observed hydrogen-bonding pattern leads to the formation of a three-dimensional network structure.
- Published
- 2015
25. Crystal structure of
- Author
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Dohyun, Moon and Jong-Ha, Choi
- Subjects
thiocyanate ligand ,crystal structure ,chloride ligand ,cis-V conformation ,synchrotron radiation ,cyclam ,chromium(III) ,oxalato ligand ,hydrogen bonding ,bromide anion ,Research Communications ,chromium(III) complex - Abstract
Two CrIII ions (each with site symmetry 2..) in the title compound have a distorted octahedral coordination environment with four N atoms of a cyclam ligands and two chloride ions or one oxalate bidentate ligand in a cis position whereby the cyclam ligands adopt a cis-V conformation. The crystal packing is stabilized by extensive hydrogen-bonding interactions among the cyclam N–H groups, the Cl ligands, and O atoms of the oxalate and ClO4 − anions., In the asymmetric unit of the title compound, [CrCl2(C10H24N4)][Cr(C2O4)(C10H24N4)](ClO4)2 (C10H24N4 = 1,4,8,11-tetraazacyclotetradecane, cyclam; C2O4 = oxalate, ox), there are two independent halves of the [CrCl2(cyclam)]+ and [Cr(ox)(cyclam)]+ cations, and one perchlorate anion. In the complex cations, which are completed by application of twofold rotation symmetry, the CrIII ions are coordinated by the four N atoms of a cyclam ligand, and by two chloride ions or one oxalate bidentate ligand in a cis arrangement, displaying an overall distorted octahedral coordination environment. The Cr—N(cyclam) bond lengths are in the range of 2.075 (5) to 2.096 (4) Å while the Cr—Cl and Cr—O(ox) bond lengths are 2.3358 (14) and 1.956 (4) Å, respectively. Both cyclam moieties adopt the cis-V conformation. The slightly distorted tetrahedral ClO4 − anion remains outside the coordination sphere. The supramolecular architecture includes N—H⋯O and N—H⋯Cl hydrogen bonding between cyclam NH donor groups, O atoms of the oxalate ligand or ClO4 − anions and one Cl ligand as acceptors, leading to a three-dimensional network structure.
- Published
- 2016
26. Crystal structure of tris-(trans-1,2-cyclo-hexa-ne-diamine-κ(2) N,N')chromium(III) tetra-chlorido-zincate chloride trihydrate from synchrotron data
- Author
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Dohyun Moon and Jong-Ha Choi
- Subjects
crystal structure ,Coordination sphere ,Inorganic chemistry ,Crystal structure ,Bite angle ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,01 natural sciences ,Chloride ,Research Communications ,chromium(III) complex ,Double salt ,chemistry.chemical_compound ,Diamine ,medicine ,General Materials Science ,1,2-cyclohexanediamine ,tetrachloridozincate chloride double salt ,Crystallography ,Chemistry ,Hydrogen bond ,synchrotron radiation ,tetrachloridozincate chloride double salt ,General Chemistry ,Condensed Matter Physics ,HEXA ,hydrogen bonding ,1,2-cyclohexanediamine ,0104 chemical sciences ,QD901-999 ,medicine.drug - Abstract
The CrIII ion in the title compound is coordinated by six N atoms of three chelating 1,2-cyclohexanediamine (chxn) ligands, displaying a distorted octahedral environment. The crystal packing is stabilized by extensive hydrogen-bonding interactions between the N—H groups of the chxn ligands, O—H groups or O atoms of the water molecules, chloride ions and Cl atoms of the disordered [ZnCl4]2− anions., The structure of the title double salt, [Cr(rac-chxn)3][ZnCl4]Cl·3H2O (chxn is trans-1,2-cyclohexanediamine; C6H14N2), has been determined from synchrotron data. The CrIII ion is coordinated by six N atoms of three chelating chxn ligands, displaying a slightly distorted octahedral coordination environment. The distorted tetrahedral [ZnCl4]2− anion, the isolated Cl− anion and three lattice water molecules remain outside the coordination sphere. The Cr—N(chxn) bond lengths are in a narrow range between 2.0737 (12) and 2.0928 (12) Å; the mean N—Cr—N bite angle is 82.1 (4)°. The crystal packing is stabilized by hydrogen-bonding interactions between the amino groups of the chxn ligands and the water molecules as donor groups, and O atoms of the water molecules, chloride anions and Cl atoms of the [ZnCl4]2− anions as acceptor groups, leading to the formation of a three-dimensional network. The [ZnCl4]2− anion is disordered over two sets of sites with an occupancy ratio of 0.94:0.06.
- Published
- 2016
27. Crystal structure of trans-di-chlorido-(1,4,8,11-tetra-aza-undecane-κ(4) N)chromium(III) perchlorate determined from synchrotron data
- Author
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Jong-Ha Choi and Dohyun Moon
- Subjects
crystal structure ,1,4,8,11-tetraazaundecane ,chemistry.chemical_element ,Crystal structure ,010402 general chemistry ,01 natural sciences ,Chloride ,Research Communications ,1,4,8,11-tetraazaundecane ,chromium(III) complex ,lcsh:Chemistry ,chemistry.chemical_compound ,Perchlorate ,Chromium ,medicine ,General Materials Science ,trans–meso (RS) conformation ,chloride ligand ,010405 organic chemistry ,Ligand ,Hydrogen bond ,synchrotron radiation ,General Chemistry ,Condensed Matter Physics ,hydrogen bonding ,0104 chemical sciences ,Bond length ,Crystallography ,lcsh:QD1-999 ,chemistry ,Undecane ,medicine.drug - Abstract
In the title compound, [CrCl2(C7H20N4)]ClO4, the CrIII ion is coordinated by four N atoms from the 1,4,8,11-tetraazaundecane ligand and two chloride ions in a trans geometry, displaying a distorted octahedral arrangement. The crystal packing is stabilized by N—HCl and N—H⋯O hydrogen bonds., The structure of the title complex, [CrCl2(2,3,2-tet)]ClO4 (2,3,2-tet is 1,4,8,11-tetraazaundecane, C7H20N4), has been determined from synchrotron data. The CrIII ion is coordinated by the four N atoms of the 1,4,8,11-tetraazaundecane ligand in the equatorial plane and two chloride ions in an axial arrangement, displaying a slightly distorted octahedral coordination environment. The two H atoms of the secondary amines are grouped on the same side of the equatorial N4 plane (meso-RS conformation). The Cr—N bond lengths range from 2.069 (2) to 2.084 (2) Å, while the mean Cr—Cl bond length is 2.325 (2) Å. The crystal structure is stabilized by intermolecular hydrogen-bonding interactions between the primary and secondary amine groups of the 2,3,2-tet ligands, the Cl ligands and the O atoms of the perchlorate counter-anion, forming corrugated layers parallel to (010).
- Published
- 2016
28. Crystal structure of hexa-kis-(urea-κO)chromium(III) dichromate bromide monohydrate from synchrotron X-ray data
- Author
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Dohyun Moon, Takashiro Akitsu, Shinnosuke Tanaka, and Jong-Ha Choi
- Subjects
bromide salt ,crystal structure ,Hydrogen bond ,urea ligand ,General Chemistry ,Crystal structure ,Staggered conformation ,synchrotron data ,Condensed Matter Physics ,HEXA ,hydrogen bonding ,Acceptor ,Research Communications ,chromium(III) complex ,lcsh:Chemistry ,Bond length ,Crystallography ,chemistry.chemical_compound ,lcsh:QD1-999 ,chemistry ,Bromide ,Urea ,General Materials Science - Abstract
The title compound, [Cr(urea)6](Cr2O7)Br·H2O, is isotypic with the corresponding chloride salt and consists of discrete [Cr(urea)6]3+ cations, staggered Cr2O7 4− and Br− anions and water solvent molecules that are held together by an intricate three-dimensional network of hydrogen-bonding interactions., The title bromide salt, [Cr{CO(NH2)2}6](Cr2O7)Br·H2O, is isotypic to the corresponding chloride salt. Within the complex cation, the CrIII atom is coordinated by six O atoms of six urea ligands, displaying a slightly distorted octahedral coordination environment. The Cr—O bond lengths involving the urea ligands are in the range 1.9534 (13)–1.9776 (12) Å. The Cr2O7 2− anion has a nearly staggered conformation, with a bridging angle of 130.26 (10)°. The individual components are arranged in rows extending parallel to [100]. The Br− anion links the complex cation, as well as the solvent water molecule, through N—H⋯Br and O—H⋯Br hydrogen-bonding interactions. The supramolecular architecture also includes N—H⋯O and O—H⋯O hydrogen bonding between urea N—H and water O—H donor groups and the O atoms of the Cr2O7 2− anion as acceptor atoms, leading to a three-dimensional network structure.
- Published
- 2015
29. Crystal structure of bis-[trans-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ(4) N)bis-(thio-cyanato-κN)chromium(III)] tetra-chlorido-zincate from synchrotron data
- Author
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Jong-Ha Choi, Keon Sang Ryoo, and Dohyun Moon
- Subjects
crystal structure ,Thio ,Crystal structure ,cyclam ,Research Communications ,chromium(III) complex ,chemistry.chemical_compound ,trans-III configuration ,Cyclam ,General Materials Science ,thiocyanate ligand ,Crystallography ,biology ,Chemistry ,Ligand ,Hydrogen bond ,synchrotron radiation ,General Chemistry ,Condensed Matter Physics ,biology.organism_classification ,thiocyanate ligand ,hydrogen bonding ,Bond length ,QD901-999 ,Tetra ,Zincate - Abstract
The CrIII atoms in the title compound show a distorted octahedral coordination with four N atoms of the cyclam ligand in the equatorial plane and two N-coordinated NCS− groups in axial positions. The macrocyclic ligands adopt trans-III configurations. The crystal packing is stabilized by N—H⋯S and N—H⋯Cl hydrogen bonds., The structure of the title compound, [Cr(NCS)2(cyclam)]2[ZnCl4] (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron data. The asymmetric unit contains two independent halves of the CrIII complex cations and half of a tetrachloridozincate anion. In each complex cation, the CrIII atom is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and by two N-bound NCS− anions in a trans axial arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry. The mean Cr—N(cyclam) and Cr—N(NCS) bond lengths are 2.065 (4) and 1.995 (6) Å, respectively. The macrocyclic cyclam moieties adopt centrosymmetric trans-III configurations with six- and five-membered chelate rings in chair and gauche configurations, respectively. The [ZnCl4]2− anion, which lies about a twofold rotation axis, has a slightly distorted tetrahedral geometry. The crystal packing is stabilized by hydrogen-bonding interactions between the N—H groups of the cyclam ligands, the S atoms of the NCS− groups and the Cl− ligands of the anion.
- Published
- 2015
30. Crystal structure of bis[bis(1,4,7-triazacyclononane-κ³N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data.
- Author
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Dohyun Moon and Jong-Ha Choi
- Subjects
CRYSTAL structure ,CHROMIUM ,SYNCHROTRONS ,X-rays ,BOND angles ,CHEMICAL bond lengths - Abstract
The structure of the title compound, [Cr(tacn)
2 ]2 [ZnCl4 ]3 ·H2 O (tacn is 1,4,7-triazacyclononane; C6 H15 N3 ), has been determined from synchrotron X-ray data. Each CrIII cation is coordinated by the six N atoms from the two tacn ligands, displaying a distorted octahedral geometry. Three distorted tetrahedral [ZnCl4]2 − anions and one lattice water molecule lie outside this coordination sphere. The Cr—N bond lengths are in the range 2.0621 (11) to 2.0851 (12) Å, while the mean inner N—Cr—N bond angle is 82.51 (5)°. The crystal packing is stabilized by hydrogen-bonding interactions with the N—H groups of the tacn ligands and the water O—H groups acting as donors, and the O atoms of the water molecules and Cl atoms of the [ZnCl4 ]2− anions as acceptors. Overall these contacts lead to the formation of a three-dimensional network. [ABSTRACT FROM AUTHOR]- Published
- 2019
- Full Text
- View/download PDF
31. Crystal structure of bis[(oxalato-κ²O¹,O²)(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III)] dichromate octahydrate from synchrotron X-ray data.
- Author
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Dohyun Moon and Jong-Ha Choi
- Subjects
- *
CRYSTAL structure , *TETRADECANE , *CHROMIUM compounds , *SYNCHROTRON radiation , *LIGANDS (Chemistry) , *ASYMMETRY (Chemistry) - Abstract
The asymmetric unit of the title compound, [Cr(C2O4)(C10H24N4)]2[Cr2O7]·-8H2O (C10H24N4 = 1,4,8,11-tetraazacyclotetradecane, cyclam; C2O4 = oxalate, ox) contains one [Cr(ox)(cyclam)]+ cation, one half of a dichromate anion that lies about an inversion centre so that the bridging O atom is equally disordered over two positions, and four water molecules. The terminal O atoms of the dichromate anion are also disordered over two positions with a refined occupancy ratio 0.586 (6):0.414 (6). The CrIII ion is coordinated by the four N atoms of the cyclam ligand and one bidentate oxalato ligand in a cis arrangement, resulting in a distorted octahedral geometry. The Cr--N(cyclam) bond lengths are in the range 2.069 (2)-2.086 (2) Å, while the average Cr--O(ox) bond length is 1.936 Å. The macrocyclic cyclam moiety adopts the cis-V conformation. The dichromate anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N--H groups and water O--H groups as donors, and the O atoms of oxalate ligand, water molecules and the Cr2O72- anion as acceptors, giving rise to a three-dimensional network. [ABSTRACT FROM AUTHOR]
- Published
- 2017
- Full Text
- View/download PDF
32. Crystal structure of bis[cis-(1,4,8,11-tetraazacyclotetradecane-k4N)bis(thiocyanato-kN)-chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data.
- Author
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Dohyun Moon, Masahiro Takase, Takashiro Akitsu, and Jong-Ha Choi
- Subjects
CRYSTAL structure ,ORGANOCHROMIUM compounds - Abstract
The structure of the complex salt, cis-[Cr(NCS)
2 (cyclam)]2 [Cr2 O7]·H2 O (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10 H24 N4 ), has been determined from synchrotron data. The asymmetric unit comprises of one [Cr(NCS)2 (cyclam)]+ cation, one half of a Cr2 O7 2- anion (completed by inversion symmetry) and one half of a water molecule (completed by twofold rotation symmetry). The CrIII ion is coordinated by the four cyclam N atoms and by two N atoms of cis-arranged thiocyanate anions, displaying a distorted octahedral coordination sphere. The Cr-N(cyclam) bond lengths are in the range 2.080 (2) to 2.097 (2) Å while the average Cr-N(NCS) bond length is 1.985 (4) Å . The macrocyclic cyclam moiety adopts the cis-V conformation. The bridging O atom of the dichromate anion is disordered around an inversion centre, leading to a bending of the Cr-O-Cr bridging angle [157.7 (3)°]; the anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N-H groups and water O-H groups as donor groups, and the O atoms of the Cr2 O7 2- anion and water molecules as acceptor groups, giving rise to a three-dimensional network. [ABSTRACT FROM AUTHOR]- Published
- 2017
- Full Text
- View/download PDF
33. Crystal structure of cis-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III) (oxalato-κ²O¹,O²)(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III) bis(perchlorate) from synchrotron data.
- Author
-
Dohyun Moon and Jong-Ha Choi
- Subjects
- *
CRYSTAL structure , *TETRADECANE , *CHROMIUM compounds , *ROTATIONAL symmetry , *OXALATES - Abstract
In the asymmetric unit of the title compound, [CrCl2(C10H24N4)][Cr(C2O4)- (C10H24N4)](ClO4)2 (C10H24N4 = 1,4,8,11-tetraazacyclotetradecane, cyclam; C2O4 = oxalate, ox), there are two independent halves of the [CrCl2(cyclam)]+ and [Cr(ox)(cyclam)]+ cations, and one perchlorate anion. In the complex cations, which are completed by application of twofold rotation symmetry, the CrIII ions are coordinated by the four N atoms of a cyclam ligand, and by two chloride ions or one oxalate bidentate ligand in a cis arrangement, displaying an overall distorted octahedral coordination environment. The Cr--N(cyclam) bond lengths are in the range of 2.075 (5) to 2.096 (4) Å while the Cr--Cl and Cr--O(ox) bond lengths are 2.3358 (14) and 1.956 (4) Å, respectively. Both cyclam moieties adopt the cis-V conformation. The slightly distorted tetrahedral ClO4- anion remains outside the coordination sphere. The supramolecular architecture includes N--H...O and N--H...Cl hydrogen bonding between cyclam NH donor groups, O atoms of the oxalate ligand or ClO4- anions and one Cl ligand as acceptors, leading to a three-dimensional network structure. [ABSTRACT FROM AUTHOR]
- Published
- 2016
- Full Text
- View/download PDF
34. Crystal structure of bis[trans-dichloridobis-(propane-1,3-diamine-κ2N,N'chromium(III)] dichromate from synchrotron data.
- Author
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Dohyun Moon, Keon Sang Ryoo, and Jong-Ha Choi
- Subjects
CRYSTAL structure ,PROPANE ,CHROMIUM - Abstract
The structure of the title compound, [CrCl
2 (tn)2 ]2 [Cr2 O7 ] (tn = propane-1,3-diamine; C3 H10 N2 ), has been determined from synchrotron data. The asymmetric unit contains one CrIII complex cation and half a [Cr2 O7 ]2- anion. In the complex cation, the CrIII ion is coordinated by the four N atoms of two propane-1,3-diamine (tn) ligands in the equatorial plane and by two Cl atoms in a trans configuration, displaying a distorted octahedral coordination sphere. The two six-membered rings in the complex cation have an anti chair-chair conformation with respect to each other. The mean Cr-N(tn) and Cr-Cl bond lengths are 2.09 (1) and 2.320 (2) Å, respectively. The slightly bent dichromate anion is disordered over two sets of sites (occupancy ratio = 0.7:0.3) and has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH2 groups of the tn ligands as donors and the O atoms of the [Cr2 O7 ]2- anion and chlorido ligands as acceptors. [ABSTRACT FROM AUTHOR]- Published
- 2016
- Full Text
- View/download PDF
35. Crystal structure of trans-diammine(1,4,8,11-tetraazacyclotetradecane-Κ4N)chromium(III) tetrachloridozincate chloride monohydrate from synchrotron data.
- Author
-
Dohyun Moon and Jong-Ha Choi
- Subjects
- *
CRYSTAL structure research , *CHROMIUM compounds , *AMMINE - Abstract
The asymmetric unit of the title complex salt, [Cr(C10H24N4)(NH3)2][ZnCl4]Cl•H2O, is comprised of four halves of the CrIII complex cations (the counterparts being generated by application of inversion symmetry), two tetrachloridozincate anions, two chloride anions and two water molecules. Each CrIII ion is coordinated by the four N atoms of the cyclam (1,4,8,11-tetraazacyclotetradecane) ligand in the equatorial plane and by two N atoms of ammine ligands in axial positions, displaying an overall distorted octahedral coordination environment. The Cr--N(cyclam) bond lengths range from 2.0501 (15) to 2.0615 (15) Å, while the Cr--(NH3) bond lengths range from 2.0976 (13) to 2.1062 (13) Å. The macrocyclic cyclam moieties adopt the trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The [ZnCl4]2- anions have a slightly distorted tetrahedral shape. In the crystal, the Cl- anions link the complex cations, as well as the solvent water molecules, through N--H⋯Cl and O--H⋯Cl hydrogen-bonding inter-actions. The supramolecular set-up also includes N--H⋯Cl, C--H⋯Cl, N--H⋯O and O--H⋯Cl hydrogen bonding between N--H or C--H groups of cyclam, ammine N--H and water O--H donor groups, and O atoms of the water molecules, Cl- anions or Cl atoms of the [ZnCl4]2- anions as acceptors, leading to a three-dimensional network structure. [ABSTRACT FROM AUTHOR]
- Published
- 2016
- Full Text
- View/download PDF
36. Crystal structure of trans-dichlorido(1,4,8,11-tetraazaundecane-κ4N)chromium(III) perchlorate determined from synchrotron data.
- Author
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Dohyun Moon and Jong-Ha Choi
- Subjects
- *
CRYSTAL structure , *CHROMIUM compounds , *SYNCHROTRONS - Abstract
The structure of the title complex, [CrCl2(2,3,2-tet)]ClO4 (2,3,2-tet is 1,4,8,11-tetraazaundecane, C7H20N4), has been determined from synchrotron data. The CrIII ion is coordinated by the four N atoms of the 1,4,8,11-tetraazaundecane ligand in the equatorial plane and two chloride ions in an axial arrangement, displaying a slightly distorted octahedral coordination environment. The two H atoms of the secondary amines are grouped on the same side of the equatorial N4 plane (meso-RS conformation). The Cr-N bond lengths range from 2.069 (2) to 2.084 (2) Å, while the mean Cr-Cl bond length is 2.325 (2) Å. The crystal structure is stabilized by intermolecular hydrogen-bonding interactions between the primary and secondary amine groups of the 2,3,2-tet ligands, the Cl ligands and the O atoms of the perchlorate counter-anion, forming corrugated layers parallel to (010). [ABSTRACT FROM AUTHOR]
- Published
- 2016
- Full Text
- View/download PDF
37. Crystal structure of cis-aquabis(2,2'-bipyridine-κ2N,N')chloridochromium(III) tetrachloridozincate determined from synchrotron data.
- Author
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Dohyun Moon, Keon Sang Ryoo, and Jong-Ha Choi
- Subjects
BIPYRIDINE derivatives ,CRYSTAL structure ,SYNCHROTRONS - Abstract
The structure of the title salt, [CrCl(C
10 H8 N2 )2 (H2 O)][ZnCl4 ], has been determined from synchrotron data. The CrIII ion is coordinated by four N atoms from two 2,2'-bipyridine (bipy) ligands, one O atom from a water molecule and a chloride anion in a cis arrangement, displaying a distorted octahedral geometry. The tetrahedral [ZnCl4 ]2- anion is slightly distorted owing to its involvement in O-H···Cl hydrogen bonding with the coordinating water molecule. The Cr-N(bipy) bond lengths are in the range 2.0485 (13)-2.0632 (12) Å , while the Cr-Cl and Cr-OH2 ) bond lengths are 2.2732 (6) and 1.9876 (12) Å, respectively. In the crystal, molecules are stacked along the a axis. [ABSTRACT FROM AUTHOR]- Published
- 2016
- Full Text
- View/download PDF
38. Crystal Structure and Spectroscopic Properties of trans-Dibromobis(1,2-ethanediamine)chromium(III) Perchlorate.
- Author
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Jong-Ha Choi, Clegg, William, Harrington, Ross, and Sang Lee
- Subjects
- *
CRYSTALLOGRAPHY , *CHEMICAL structure , *CHROMIUM , *SPECTRUM analysis , *BROMINE - Abstract
The crystal structure of trans-[Cr(en)2Br2]ClO4 (en = 1,2-ethanediamine) has been determined by a single-crystal X-ray diffraction study at 150 K. The complex crystallizes in the space group $$ P\overline{1} $$ of the triclinic system with two mononuclear formula units in a cell of dimensions a = 6.853(4), b = 8.109(5), c = 12.475(8) Å, α = 81.006(10)° , β = 77.005(10)° and γ = 74.981(10)°. The Cr atom is in a slightly distorted octahedral environment, coordinated by four nitrogen atoms of two en ligands and two bromine atoms in trans axial positions. The mean Cr–N(en) and Cr–Br bond lengths are 2.079(3) and 2.4743(10)Å, respectively. The five-membered rings are in stable gauche conformations with N1–Cr1–N2 and N3–Cr2–N4 angles of 82.81(11)° and 83.67(11)°, respectively. The crystal packing is stabilized by a network of N–H···O and N–H···Br hydrogen bonds. The infrared and electronic absorption spectra are consistent with the results of X-ray crystallography. The spectroscopic properties of the title complex are in good agreement with the result of X-ray crystallography, which shows that the chromium atom is in an octahedral environment, coordinated by two bidentate 1,2-ethanediamine ligands and two bromine atoms in trans positions.[Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]
- Published
- 2010
- Full Text
- View/download PDF
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