Information card for entry 4070752

Structure parameters

• Formula: C15 H23 B10 Co O4 S2
• Calculated formula: C15 H23 B10 Co O4 S2
• SMILES: [B]1234([BH]567[BH]89%10[B]%11%12%13([BH]%14%15%16[BH]%171([BH]125[BH]268[BH]9%11%14[BH]%15%1712)[C]14%13%16[C]37%10%12S[Co]2345([cH]6[cH]5[cH]4[cH]3[cH]26)S1)/C=C\C(=O)OC)/C=C\C(=O)OC
• Title of publication: Metal-Induced B−H Bond Activation: Addition of Methyl Acetylene Monocarboxylate to CpCo Half-Sandwich Complexes Containing a Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolate Ligand
• Authors of publication: Xu, Bao-Hua; Tao, Jing-Cong; Li, Yi-Zhi; Li, Shu-Hua; Yan, Hong
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 334
• a: 26.917 ± 0.003 Å
• b: 19.9 ± 0.002 Å
• c: 13.2375 ± 0.0015 Å
• α: 90°
• β: 93.859 ± 0.002°
• γ: 90°
• Cell volume: 7074.6 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No