Information card for entry 8104903

Structure parameters

• Formula: C30 H28 B Cl Cu N6
• Calculated formula: C30 H28 B Cl Cu N6
• Title of publication: Crystal structure of chlorido{hydridotris[3-phenyl-5-methylpyrazol-1-yl-κN 3]borato}copper(II), C30H28BClCuN6
• Authors of publication: Fujisawa, Kiyoshi; Shimizu, Masaya; Tiekink, Edward R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 135 - 138
• a: 11.549 ± 0.003 Å
• b: 12.321 ± 0.003 Å
• c: 12.348 ± 0.004 Å
• α: 111.785 ± 0.001°
• β: 116.664 ± 0.003°
• γ: 97.513 ± 0.001°
• Cell volume: 1361.3 ± 0.7 ų
• Cell temperature: 197 ± 2 K
• Ambient diffraction temperature: 197 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No