Information card for entry 4110818

Structure parameters

• Common name: Cp*2Co2(B6H14)
• Chemical name: (Tetradecahydrohexaborato)bis(pentamethylcyclopentadienyl)dicobalt
• Formula: C20 H44 B6 Co2
• Calculated formula: C20 H44 B6 Co2
• SMILES: [BH]1234[BH]56([BH2]7([Co]89%10%1115([H]7)([BH]153[BH]37([BH2]%12([Co]%13%14%15%16413([c]1([c]%13([c]%14([c]%15([c]%161C)C)C)C)C)[H]%12)[H]7)[H]5)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[H]6)[H]2
• Title of publication: Synthesis and Characterization of the Octahydrotriborate Complexes Cp*V(B3H8)2 and Cp*Cr(B3H8)2 and the Unusual Cobaltaborane Cluster Cp*2Co2(B6H14)
• Authors of publication: Do Young Kim; Gregory S. Girolami
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 10969 - 10977
• a: 8.706 ± 0.001 Å
• b: 8.706 ± 0.001 Å
• c: 32.496 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2463 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No