Information card for entry 7010186

Structure parameters

• Chemical name: [Hydrido-tris-(3,5-diphenylpyrazolyl)borato][2-hydroxy-5-methyl- benzoquinonato]copper(II) dichloromethane solvate
• Formula: C52.8 H40.6 B Cl1.6 Cu N6 O3
• Calculated formula: C52.7 H39 B Cl1.6 Cu N6 O3
• Title of publication: Complexes of 2-hydroxy-5-methyl-1,4-benzoquinone as models for the 'TPQ-on' form of copper amine oxidases
• Authors of publication: Foster, Caroline L.; Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4563
• a: 16.4602 ± 0.0004 Å
• b: 15.9627 ± 0.0004 Å
• c: 19.6781 ± 0.0004 Å
• α: 90°
• β: 114.202 ± 0.0014°
• γ: 90°
• Cell volume: 4716 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No