Information card for entry 4108750

Structure parameters

• Formula: C36 H44 B10 P2 Ru
• Calculated formula: C36 H44 B10 P2 Ru
• SMILES: [Ru]123456([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1(C([C]789%10[CH]%11%12%13[B]%14%1567[BH]678[BH]8%169[BH]9%10%11[BH]%10%11%16[BH]%1678[BH]7%156[BH]6%12%14[BH]%139%10[BH]%11%1676)(C)C)[cH]2[cH]3[cH]4[cH]51
• Title of publication: Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in Metal-Carboranyl Complexes
• Authors of publication: Dongmei Liu; Li Dang; Yi Sun; Hoi-Shan Chan; Zhenyang Lin; Zuowei Xie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16103 - 16110
• a: 9.153 ± 0.0018 Å
• b: 17.736 ± 0.004 Å
• c: 11.175 ± 0.002 Å
• α: 90°
• β: 90.96 ± 0.03°
• γ: 90°
• Cell volume: 1813.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No