Information card for entry 4311017

Structure parameters

• Formula: C9 H26 B9 Ni O P
• Calculated formula: C9 H26 B9 Ni O P
• SMILES: [Ni]1234([CH]567[BH]891[BH]1%105[BH]5%116[BH]627[BH]27%11[BH]%11%105[BH]591[CH]138[BH]462[BH]7%1151)(C#[O])[P](CC)(CC)CC
• Title of publication: Synthesis, Structure and Dynamics of Nickelacarboranes Incorporating the [nido-7,9-C~2~B~9~H~11~]^2-^ Ligand
• Authors of publication: Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3090 - 3097
• a: 9.836 ± 0.003 Å
• b: 13.185 ± 0.0016 Å
• c: 13.262 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1719.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No