Information card for entry 8105507

Structure parameters

• Formula: C31 H28 B Cu N6 O
• Calculated formula: C31 H28 B Cu N6 O
• Title of publication: Crystal structure of carbonyl{hydridotris[3-phenyl-5-methylpyrazol-1-yl]borato-κ3 N,N′N′′}copper(I), C31H28BCuN6O
• Authors of publication: Fujisawa, Kiyoshi; Yabe, Makoto; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1507 - 1509
• a: 11.506 ± 0.003 Å
• b: 16.122 ± 0.003 Å
• c: 15.805 ± 0.003 Å
• α: 90°
• β: 99.433 ± 0.003°
• γ: 90°
• Cell volume: 2892.2 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No