Information card for entry 4325019

Structure parameters

• Formula: C19 H33 B10 Co O6 S2
• Calculated formula: C19 H33 B10 Co O6 S2
• SMILES: [B]12345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%15%16%10[BH]%1079[BH]726[BH]261[BH]%12%15([BH]%16%1072)[C]4%146([C]38%11%13SC1C(C(=O)OCC)[Co]23465([cH]5[cH]2[cH]3[cH]4[cH]65)[O]=C1OCC)SCC(=O)OCC
• 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: 11.0279 ± 0.0011 Å
• b: 11.9237 ± 0.0011 Å
• c: 12.4112 ± 0.0012 Å
• α: 83.147 ± 0.001°
• β: 69.05 ± 0.001°
• γ: 67.769 ± 0.001°
• Cell volume: 1410.6 ± 0.2 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: 0.0704
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No