Information card for entry 4323626

Structure parameters

• Chemical name: Hydrotris(3-cumenyl-5-methyl-pyrazol-1-yl)borato -zinc-3,5-di-tert.butyl-semiquinone
• Formula: C110 H140 B2 Cl8 N12 O4 Zn2
• Calculated formula: C109.71 H139.26 B2 Cl7.8281 N12 O4 Zn2
• 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: 14.261 ± 0.003 Å
• b: 18.76 ± 0.007 Å
• c: 21.71 ± 0.004 Å
• α: 80.049 ± 0.012°
• β: 89.853 ± 0.008°
• γ: 85.542 ± 0.012°
• Cell volume: 5703 ± 3 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 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: 0.0816
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections: 0.1739
• Weighted residual factors for significantly intense reflections: 0.1567
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No