Information card for entry 4118132

Structure parameters

• Formula: C49 H70 B20 Cl2 Co2 O9 S4
• Calculated formula: C49 H70 B20 Cl2 Co2 O9 S4
• Title of publication: Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl
• Authors of publication: Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 10341 - 10344
• a: 11.537 ± 0.003 Å
• b: 14.299 ± 0.003 Å
• c: 21.519 ± 0.005 Å
• α: 91.374 ± 0.003°
• β: 102.151 ± 0.004°
• γ: 101.032 ± 0.003°
• Cell volume: 3398.6 ± 1.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No