Information card for entry 4070753

Structure parameters

• Formula: C15 H23 B10 Co O4 Se2
• Calculated formula: C15 H23 B10 Co O4 Se2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]625[BH]251[BH]%11%14([BH]%15962)[C]14%135[C]37%10%12[Se]2C(=CC(=C[Co]34562([cH]2[cH]3[cH]4[cH]5[cH]62)[Se]1)C(=O)OC)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: 10.0659 ± 0.0009 Å
• b: 18.0533 ± 0.0016 Å
• c: 13.4238 ± 0.0012 Å
• α: 90°
• β: 110.922 ± 0.001°
• γ: 90°
• Cell volume: 2278.6 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No