Information card for entry 7008945

Structure parameters

• Chemical name: Bis-[5-cyclohexylpyrazole][hydrido-tris-{3-cyclohexylpyrazol-1-yl}borato] copper(II) tetrafluoroborate chloroform solvate
• Formula: C46 H69 B2 Cl3 Cu F4 N10
• Calculated formula: C46 H69 B2 Cl3 Cu F4 N10
• Title of publication: Steric control of the reactivity of moderately hindered tris(pyrazolyl)borates with copper(II) salts †
• Authors of publication: Chia, Li Mei Lindy; Radojevic, Sanja; Scowen, Ian J.; McPartlin, Mary; Halcrow, Malcolm A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 133
• a: 11.514 ± 0.002 Å
• b: 18.291 ± 0.003 Å
• c: 12.439 ± 0.002 Å
• α: 90°
• β: 93.666 ± 0.01°
• γ: 90°
• Cell volume: 2614.3 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1456
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections: 0.2541
• Weighted residual factors for significantly intense reflections: 0.1676
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No