Information card for entry 4325017

Structure parameters

• Formula: C11 H21 B10 Co O2 S2
• Calculated formula: C11 H21 B10 Co O2 S2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]268[BH]9%11%14[BH]%15%1712)[C]13%12%16[C]47%10%13S[Co]23456(C(C(=O)OCC)[S]16)[cH]1[cH]2[cH]3[cH]4[cH]51
• 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: 13.098 ± 0.003 Å
• b: 16.643 ± 0.004 Å
• c: 18.05 ± 0.004 Å
• α: 90°
• β: 96.439 ± 0.003°
• γ: 90°
• Cell volume: 3909.9 ± 1.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No