Information card for entry 2218662

Structure parameters

• Chemical name: Hexakis(dimethyl sulfoxide-κO)chromium(III) trichloride
• Formula: C12 H36 Cl3 Cr O6 S6
• Calculated formula: C12 H36 Cl3 Cr O6 S6
• SMILES: [Cr]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[Cl-].[Cl-].[Cl-]
• Title of publication: Hexakis(dimethyl sulfoxide-κ<i>O</i>)chromium(III) trichloride
• Authors of publication: Mikhaylichenko, Yuliya M.; Haukka, Matti; Pavlenko, Vadim O.; Fritsky, Igor O.; Iskenderov, Turganbay S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m904
• a: 10.5499 ± 0.0006 Å
• b: 10.5499 ± 0.0006 Å
• c: 21.137 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2037.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes