Information card for entry 7029342

Structure parameters

• Formula: C27 H48 B20 Cl2 P Rh S2
• Calculated formula: C26 H46 B20 P Rh S2
• SMILES: [Rh]1234(S[C]5678[BH]9%10%11[BH]%12%135[BH]5%146[BH]6%157[BH]7%16%17[BH]%189([BH]9%10%12[BH]%10%135[BH]%1467[BH]%16%189%10)[C]8%11%15%17P(=[S]1)(c1ccccc1)c1ccccc1)[C]1(C([C]5678[BH]9%10%11[BH]%12%135[BH]5%146[BH]6%157[BH]7%16%17[BH]%189([BH]9%10%12[BH]%10%135[BH]%1467[BH]%16%189%10)[CH]8%11%15%17)([C]4(=[C]3([C]2=1C)C)C)C)C
• Title of publication: Nucleophilic addition of carborane anion to Ir, Rh-coordinated Cp* ring: C-C bond formation accompanied by reduction of metal center.
• Authors of publication: Yao, Zi-Jian; Lin, Yue-Jian; Xu, Bin; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 13
• Pages of publication: 4938 - 4940
• a: 12.013 ± 0.004 Å
• b: 29.317 ± 0.009 Å
• c: 12.157 ± 0.004 Å
• α: 90°
• β: 96.824 ± 0.004°
• γ: 90°
• Cell volume: 4251 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No