Information card for entry 2237889

Structure parameters

• Chemical name: Tris(diisopropyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')ruthenium(III)
• Formula: C18 H42 O6 P3 Ru S6
• Calculated formula: C18 H42 O6 P3 Ru S6
• SMILES: [Ru]123([S]=P(S1)(OC(C)C)OC(C)C)([S]=P(S2)(OC(C)C)OC(C)C)[S]=P(S3)(OC(C)C)OC(C)C
• Title of publication: Tris(diisopropyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')ruthenium(III)
• Authors of publication: Chao, Guo-Ping; Wu, Xiuli; Shi, Hua-Tian; Chen, Qun; Zhang, Qian-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m341
• a: 8.9676 ± 0.0008 Å
• b: 10.5073 ± 0.0009 Å
• c: 19.1085 ± 0.0017 Å
• α: 81.281 ± 0.002°
• β: 88.678 ± 0.002°
• γ: 82.175 ± 0.002°
• Cell volume: 1763.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes