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Crystal structure of bis[cis-(1,4,8,11-tetraazacyclotetradecane-k4N)bis(thiocyanato-kN)-chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data.
- Source :
-
Acta Crystallographica Section E: Crystallographic Communications . Jan2017, Vol. 73 Issue 1, preceding p72-75. 10p. - Publication Year :
- 2017
-
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. [ABSTRACT FROM AUTHOR]
- Subjects :
- *CRYSTAL structure
*ORGANOCHROMIUM compounds
Subjects
Details
- Language :
- English
- ISSN :
- 20569890
- Volume :
- 73
- Issue :
- 1
- Database :
- Academic Search Index
- Journal :
- Acta Crystallographica Section E: Crystallographic Communications
- Publication Type :
- Academic Journal
- Accession number :
- 120670478
- Full Text :
- https://doi.org/10.1107/S2056989016020120