Information card for entry 4311016

Structure parameters

• Formula: C19 H40 B9 N Ni
• Calculated formula: C19 H40 B9 N Ni
• 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: 10.29 ± 0.002 Å
• b: 13.537 ± 0.004 Å
• c: 17.289 ± 0.005 Å
• α: 90°
• β: 93.7 ± 0.02°
• γ: 90°
• Cell volume: 2403.3 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1414
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.2385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No