Information card for entry 4317209

Structure parameters

• Formula: C14 H34 B20 Ru S3
• Calculated formula: C14 H34 B20 Ru S3
• SMILES: [Ru]1234567([c]8([cH]1[cH]2[c]3([cH]4[cH]58)C)C(C)C)S[C]1234[BH]589[BH]%10%11%12[BH]%13%14%15[BH]%161([BH]1%173[BH]328[BH]25%10[BH]5%11%14[BH]%13%161[BH]%17325)[C]49%12%15[S]6[C]1234[BH]568[BH]9%10%11[BH]%12%13%14[BH]%151([BH]1%16%13[BH]%13%10%12[BH]%1069[BH]625[BH]3%151[BH]%16%13%106)[C]48%11%14S7
• Title of publication: Controlled Assembly of Ruthenium Complexes through ortho-Carborane Dithiolate and Polysulfide Ligands
• Authors of publication: Jiurong Hu; Guifeng Liu; Qibai Jiang; Rui Zhang; Wei Huang; Hong Yan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11199 - 11204
• a: 6.9477 ± 0.0006 Å
• b: 10.3469 ± 0.0009 Å
• c: 20.8896 ± 0.0018 Å
• α: 83.045 ± 0.002°
• β: 84.683 ± 0.001°
• γ: 78.397 ± 0.001°
• Cell volume: 1456.6 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No