Information card for entry 4307919

Structure parameters

• Formula: C19 H41 B10 Co
• Calculated formula: C19 H41 B10 Co
• SMILES: [Co]123456789([C]%10%11(CC)[BH]%12%135[C]5%14%15(CC)[B]%16%17%11%12(C)[B]%116%10(C)[B]6%108(C)[B]8%16%11(C)[B]%11%14%17(C)[B]%12%14%15(C)[B]7%135(C)[BH]96%12[B]%108%11%14C)[cH]5[cH]2[cH]3[cH]4[cH]51
• Title of publication: Synthesis, Structure, Reactivity, and Thermal Isomerization of Boron-Substituted 13-Vertex Cobaltacarboranes (η5-Cp)Co(η6-R2C2B10Me8H2) (R = H, Et)
• Authors of publication: Liang Deng; Hoi-Shan Chan; Zuowei Xie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2716 - 2724
• a: 16.2735 ± 0.0016 Å
• b: 9.9673 ± 0.001 Å
• c: 15.8338 ± 0.0016 Å
• α: 90°
• β: 110.631 ± 0.002°
• γ: 90°
• Cell volume: 2403.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1888
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.2194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No