Information card for entry 4070755

Structure parameters

• Formula: C15 H23 B10 Co O4 Se2
• Calculated formula: C15 H23 B10 Co O4 Se2
• SMILES: [B]1234([BH]567[BH]89%10[B]%11%12%13%14[BH]%15%169[BH]968[BH]615[BH]152[BH]%11%15([BH]%16961)[C]14%135[C]37%10%12[Se][Co]23456(C(C%14)(C(=O)OC)[Se]16)[cH]1[cH]5[cH]4[cH]3[cH]21)/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: 9.5889 ± 0.0013 Å
• b: 9.6525 ± 0.0013 Å
• c: 13.9915 ± 0.0019 Å
• α: 72.157 ± 0.002°
• β: 75.856 ± 0.002°
• γ: 73.25 ± 0.002°
• Cell volume: 1163 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0999
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No