Information card for entry 2200873

Structure parameters

• Chemical name: Tris(dimethyldithiophosphato)ruthenium(III)
• Formula: C6 H18 O6 P3 Ru S6
• Calculated formula: C6 H18 O6 P3 Ru S6
• SMILES: P1(OC)(OC)=[S][Ru]23(SP(OC)(OC)=[S]2)(SP(OC)(OC)=[S]3)S1
• Title of publication: The space group of tris(dimethyldithiophosphato)ruthenium(III)
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: m18 - m19
• a: 14.1212 ± 0.0006 Å
• b: 11.1919 ± 0.0008 Å
• c: 12.9788 ± 0.0007 Å
• α: 90°
• β: 97.121 ± 0.004°
• γ: 90°
• Cell volume: 2035.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes