Information card for entry 2201394

Structure parameters

• Formula: C6 H9 Cr O3 S6
• Calculated formula: C6 H9 Cr O3 S6
• SMILES: [Cr]123(SC(=[S]1)OC)(SC(=[S]2)OC)SC(=[S]3)OC
• Title of publication: Tris(<i>O</i>-methyldithiocarbonato)chromium(III)
• Authors of publication: Tetsuzo Ito
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m517 - m518
• a: 9.633 ± 0.004 Å
• b: 13.852 ± 0.004 Å
• c: 11.301 ± 0.003 Å
• α: 90°
• β: 106.94 ± 0.02°
• γ: 90°
• Cell volume: 1442.5 ± 0.8 ų
• Cell temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.66
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes