Information card for entry 4323625

Structure parameters

• Chemical name: Bis[hydrotris(3-cumenyl-5-methyl-pyrazol-1-yl)borato]cobalt(II)
• Formula: C81.5 H96 B2 Cl5 Co N13
• Calculated formula: C81.5 H96 B2 Cl5 Co N12.5
• 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: 17.7189 ± 0.0004 Å
• b: 17.4806 ± 0.0003 Å
• c: 25.7123 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7964.1 ± 0.3 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections: 0.1577
• Weighted residual factors for significantly intense reflections: 0.1438
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No