Information card for entry 4323628

Structure parameters

• Chemical name: Hydrotris(3-cumenyl-5-methyl-pyrazol-1-yl)borato- cobalt-3,5-di-tert-butyl-semiquinone
• Formula: C55 H70 B Cl4 Co N6 O2
• Calculated formula: C55 H70 B Cl4 Co N6 O2
• Title of publication: Pocket Semiquinonate Complexes of Cobalt(II), Copper(II), and Zinc(II) Prepared with the Hydrotris(cumenylmethylpyrazolyl)borate Ligand
• Authors of publication: Michael Ruf; Bruce C. Noll; Markus D. Groner; Gordon T. Yee; Cortlandt G. Pierpont
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4860 - 4865
• a: 14.4631 ± 0.0002 Å
• b: 18.5438 ± 0.0003 Å
• c: 21.6142 ± 0.0002 Å
• α: 79.843 ± 0.001°
• β: 90.09 ± 0.001°
• γ: 84.99 ± 0.001°
• Cell volume: 5683.45 ± 0.13 ų
• Cell temperature: 146 ± 2 K
• Ambient diffraction temperature: 146 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections: 0.2011
• Weighted residual factors for significantly intense reflections: 0.1729
• Goodness-of-fit parameter for all reflections: 0.915
• Goodness-of-fit parameter for significantly intense reflections: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No