Information card for entry 2012008

Structure parameters

• Chemical name: Bis(hydridotris-{3-cyclohexylpyrazol-1-yl}borato)copper(II) bis(dichloromethane) solvate
• Formula: C56 H84 B2 Cl4 Cu N12
• Calculated formula: C56 H84 B2 Cl4 Cu N12
• Title of publication: Bis[tris(3-cyclohexylpyrazol-1-yl)hydridoborato]copper(II) dichloromethane disolvate
• Authors of publication: Halcrow, Malcolm A.; Kilner, Colin A.; Thornton-Pett, Mark
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 711 - 713
• a: 13.0758 ± 0.0002 Å
• b: 18.3961 ± 0.0003 Å
• c: 13.0405 ± 0.0002 Å
• α: 90°
• β: 104.694 ± 0.0012°
• γ: 90°
• Cell volume: 3034.22 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes