Information card for entry 4070754

Structure parameters

• Formula: C11 H19 B10 Co O2 Se2
• Calculated formula: C11 H19 B10 Co O2 Se2
• SMILES: [Co]123456([Se]7[C]89%10%11[BH]%12%13%14[BH]%15%168[BH]8%179[B]9%18%10([BH]%10%19%17[BH]%17%168[BH]8%13%15[BH]%13%15%12[BH]9%10([BH]%19%178%13)[C]%11%14%18%15[Se]1)CC27C(=O)OC)[cH]1[cH]3[cH]4[cH]5[cH]61
• 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: 6.6368 ± 0.0007 Å
• b: 21.23 ± 0.002 Å
• c: 13.4715 ± 0.0014 Å
• α: 90°
• β: 96.437 ± 0.002°
• γ: 90°
• Cell volume: 1886.2 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0666
• 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