Information card for entry 4325020

Structure parameters

• Formula: C15 H27 B10 Co O4 S2
• Calculated formula: C15 H27 B10 Co O4 S2
• SMILES: [B]12345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%15%16%17[BH]%181([BH]126[BH]279[BH]%10%12%15[BH]%16%1812)[C]13%13%17[C]48%11%14[S](CC(=O)OCC)[Co]2346(C5C(=O)OCC)([cH]5[cH]2[cH]3[cH]4[cH]65)S1
• Title of publication: Cobalt-Mediated Selective B-H Activation and Formation of a Co-B Bond in the Reaction of the 16-Electron CpCo Half-Sandwich Complex Containing an o-Carborane-1,2-dithiolate Ligand with Ethyl Diazoacetate
• Authors of publication: Guifeng Liu; Jiurong Hu; Jialin Wen; Huimin Dai; Yizhi Li; Hong Yan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4187 - 4194
• a: 10.601 ± 0.002 Å
• b: 10.875 ± 0.002 Å
• c: 11.161 ± 0.003 Å
• α: 80.06 ± 0.002°
• β: 84.133 ± 0.002°
• γ: 70.847 ± 0.003°
• Cell volume: 1195.8 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No