Information card for entry 7010016

Structure parameters

• Chemical name: Bis-[2,6-bis-{N-cyclohexylcarbaldimino}pyridine]copper(II) ditetrafluoroborate nitromethane solvate
• Formula: C41 H57 B2 Cu F8 N7 O2
• Calculated formula: C41 H57 B2 Cu F8 N7 O2
• Title of publication: Copper complexes of 2,6-bis(iminomethyl)pyridine derivatives and of 1,3-bis(pyridin-2-yl)pyrazole. Effects of ligand bulk and conformational strain on the ground state of a six-co-ordinate copper(II) ion
• Authors of publication: Holland, Joanne M.; Liu, Xiaoming; Zhao, Jing P.; Mabbs, Frank E.; 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: 19
• Pages of publication: 3316
• a: 13.6323 ± 0.0001 Å
• b: 17.8182 ± 0.0001 Å
• c: 19.2083 ± 0.0001 Å
• α: 90°
• β: 104.518 ± 0.0006°
• γ: 90°
• Cell volume: 4516.77 ± 0.05 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: 0.0601
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No