Information card for entry 4108751

Structure parameters

• Formula: C34 H50 B10 O3 P2 Ru
• Calculated formula: C34 H50 B10 O3 P2 Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](OCC)(OCC)OCC)[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
• 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: 10.75 ± 0.002 Å
• b: 20.386 ± 0.004 Å
• c: 18.477 ± 0.004 Å
• α: 90°
• β: 102.82 ± 0.03°
• γ: 90°
• Cell volume: 3948.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No