Information card for entry 4307912

Structure parameters

• Formula: C15 H33 B10 Co
• Calculated formula: C15 H33 B10 Co
• SMILES: [Co]123456789([CH]%10%11[B]%12%136(C)[CH]6%141[B]1%15%13(C)[B]%13%16%11%12(C)[B]%117%10(C)[BH]7%108[B]8%13%11(C)[B]%111%16(C)[B]1%14%15(C)[BH]967[B]%108%111C)[cH]1[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: 13.6259 ± 0.0007 Å
• b: 9.918 ± 0.0005 Å
• c: 16.0642 ± 0.0008 Å
• α: 90°
• β: 99.944 ± 0.001°
• γ: 90°
• Cell volume: 2138.33 ± 0.19 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: 0.0453
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No