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Coarse colorless single crystals of lithium lutetium bis[orthomolybdate(VI)], LiLu[MoO4]2, were obtained as a by-product from a reaction aimed at lithium derivatives of lutetium molybdate. The title compound crystallizes in the scheelite structure type (tetragonal, space group I41/a) with two formula units per unit cell. The Wyckoff position 4b (site symmetry ...) comprises a mixed occupancy of Li+ and Lu3+ cations in a 1:1 ratio. In comparison with a previous powder X-ray study [Cheng et al. (2015). Dalton Trans. 44, 18078–18089.] all atoms were refined with anisotropic displacement parameters. [ABSTRACT FROM AUTHOR]

Coarse colorless single crystals of lithium lutetium bis[orthomolybdate(VI)], LiLu[MoO4]2, were obtained as a by-product from a reaction aimed at lithium derivatives of lutetium molybdate. The title compound crystallizes in the scheelite structure type (tetragonal, space group I41/a) with two formula units per unit cell. The Wyckoff position 4b (site symmetry ...) comprises a mixed occupancy of Li+ and Lu3+ cations in a 1:1 ratio. In comparison with a previous powder X-ray study [Cheng et al. (2015). Dalton Trans. 44, 18078–18089.] all atoms were refined with anisotropic displacement parameters. [ABSTRACT FROM AUTHOR]

Coarse colorless single crystals of lithium lutetium bis[orthomolybdate(VI)], LiLu[MoO4]2, were obtained as a by-product from a reaction aimed at lithium derivatives of lutetium molybdate. The title compound crystallizes in the scheelite structure type (tetragonal, space group I41/a) with two formula units per unit cell. The Wyckoff position 4b (site symmetry 4) comprises a mixed occupancy of Li+ and Lu3+ cations in a 1:1 ratio. In comparison with a previous powder X-ray study [Cheng et al. (2015). Dalton Trans. 44, 18078-18089.] all atoms were refined with anisotropic displacement parameters. [ABSTRACT FROM AUTHOR]

Coarse colorless single crystals of lithium lutetium bis[orthomolybdate(VI)], LiLu[MoO4]2, were obtained as a by-product from a reaction aimed at lithium derivatives of lutetium molybdate. The title compound crystallizes in the scheelite structure type (tetragonal, space group I41/a) with two formula units per unit cell. The Wyckoff position 4b (site symmetry 4) comprises a mixed occupancy of Li+ and Lu3+ cations in a 1:1 ratio. In comparison with a previous powder X-ray study [Cheng et al. (2015). Dalton Trans. 44, 18078-18089.] all atoms were refined with anisotropic displacement parameters. [ABSTRACT FROM AUTHOR]

Mixed crystals of 1-(4-chlorophenylsulfonyl)-2,5-dimethyl-1H-benzimidazole and 1-(4-chlorophenylsulfonyl)-2,6-dimethyl-1H-benzimidazole (ratio 0.707: 0.293; two molecules in the asymmetric unit), 0.707C15H13ClN2O2S·-0.293C15H13ClN2O2S, (I), and of 2-n-butyl-1-(4-tert-butylphenylsulfonyl)-5-chloro-1H-benzimidazole and 2-n-butyl-1-(4-tert-butylphenylsulfonyl)-6-chloro-1H-benzimidazole [ratio 0.731 (2):0.269 (2); one molecule in the asymmetric unit], 0.731C21H25ClN2O2S·0.269C21H25ClN2O2S, (II), were obtained from the arylsulfonylation reaction of the corresponding 2-alkylbenzimidazoles. In addition, two products were obtained from the reaction of 2-n-butyl-5-chloro-1H-benzimidazole with 4-methylbenzenesulfonyl chloride. These reaction products were separated by column chromatography and the crystal structure of one of the products, 2-n-butyl-5-chloro-1-(4-methylphenylsulfonyl)-1Hbenzimidazole (one molecule in the asymmetric unit), C18H19ClN2O2S, (III), was determined. In the crystal structures of (I)-(III), there is a difference in the arrangement of the planar benzimidazole and arylsulfonyl fragments. The formation of weak C--H· · ·O hydrogen-bonding interactions is characteristic of all three crystal structures. [ABSTRACT FROM AUTHOR]

The reaction of ytterbium metal with ammonium trifluoroacetate in liquid ammonia resulted in a green substance comprising a substantial amount of ytterbium(II) trifluoroacetate that is a useful precursor for the oxidative synthesis of the new ytterbium(III) compound, [(NH4)1-x(H3O)x]2[Yb6F8-(O2CCF3)12(H2O)4].4H2O (x = 1/4), in aqueous trifluoroacetic acid. This mixed ammonium/oxonium crystalline solid is the first example of a substance containing an octahedro-hexanuclear ytterbium(III) complex with μ3-facecapping fluorido ligands. The main structural features of its [Yb6F8] core are non-bonding Yb...Yb distances and Yb--F bond lengths of 3.7576 (3)-3.9413 (5) and 2.2375 (17)-2.3509 (17) Å, respectively. Yb--O bond lengths involving the O atoms of O,O0-bridging carboxylato ligands and vertexsubstituting aqua ligands are in the ranges 2.23 (4)-2.329 (2) and 2.448 (2)-2.544 (3) Å, respectively. These bond lengths are in accordance with expectations, taking into account lanthanoid contraction. Interestingly, there is a significant ammonium versus oxonium ion site dependence, not only of the hydrate water molecule positions within the solid's hydrogen-bonding framework, but also of the coordination sites of one carboxylato and one aqua ligand in the hexanuclear complex. [ABSTRACT FROM AUTHOR]

The unit cell of the title compound, [Zn(C17H18N3O4)2]·CH4O·C2H6O, contains two complex molecules related by an inversion centre, plus one methanol and one ethanol solvent molecule per complex molecule. In each complex, two deprotonated pyridine aroylhydrazone ligands {3,4,5-trimethoxy-N'-[1-(pyridin-2-yl)ethylidene]benzohydrazide} coordinate to the ZnII ion through the N atoms of the pyridine group and the ketamine, and, additionally, through the O atom of the enolate group. In the crystal, dimers are formed by π-π interactions between the planar ligand moieties, which are further connected by C···O and C···C interactions. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing that the most important contributions for the crystal packing are from H···H (44.8%), H···C/C···H (22.2%), H···O/O···H (18.7%) and C···C (3.9%) interactions. [ABSTRACT FROM AUTHOR]

A mixed alkaline-earth powellite, Ca0.84Sr0.16MoO4 (calcium strontium molybdate), was synthesized by a flux method and its crystal structure was solved using single-crystal X-ray diffraction (SC-XRD) data. The compound crystallized in the I41/a space group as with a typical CaMoO4 powellite, but with larger unitcell parameters and unit-cell volume as a result of the partial incorporation of larger Sr cations into the Ca sites within the crystal. The unit cell and volume were well fitted with the trendline calculated from literature values, and the powder X-ray diffraction (P-XRD) pattern of the ground crystal is in good agreement with the calculated pattern from the solved structure. [ABSTRACT FROM AUTHOR]

A mixed alkaline-earth powellite, Ca0.84Sr0.16MoO4 (calcium strontium molybdate), was synthesized by a flux method and its crystal structure was solved using single-crystal X-ray diffraction (SC-XRD) data. The compound crystallized in the I41/a space group as with a typical CaMoO4 powellite, but with larger unitcell parameters and unit-cell volume as a result of the partial incorporation of larger Sr cations into the Ca sites within the crystal. The unit cell and volume were well fitted with the trendline calculated from literature values, and the powder X-ray diffraction (P-XRD) pattern of the ground crystal is in good agreement with the calculated pattern from the solved structure. [ABSTRACT FROM AUTHOR]