Information card for entry 4108749

Structure parameters

• Formula: C34 H43 B10 P Ru
• Calculated formula: C34 H43 B10 P Ru
• SMILES: [RuH2]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)[c]6(C([C]789%10[CH]%11%12%13[B]%14%1557[BH]578[BH]8%169[BH]9%10%11[BH]%10%11%16[BH]%1678[BH]7%155[BH]5%12%14[BH]%139%10[BH]%11%1675)(C)C)[cH]1[cH]2[cH]3[cH]46.c1ccccc1
• 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: 9.2911 ± 0.0008 Å
• b: 26.196 ± 0.002 Å
• c: 14.6014 ± 0.0013 Å
• α: 90°
• β: 93.202 ± 0.002°
• γ: 90°
• Cell volume: 3548.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No