Information card for entry 7010018

Structure parameters

• Chemical name: Bis-[2,6-bis-{N-(2,4,6-trimethylphenyl)carbaldimino}pyridine]copper(I) tetrafluoroborate acetonitrile solvate
• Formula: C52 H57 B Cu F4 N7
• Calculated formula: C52 H57 B Cu F4 N7
• 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: 11.6577 ± 0.0002 Å
• b: 26.3752 ± 0.0004 Å
• c: 16.2105 ± 0.0002 Å
• α: 90°
• β: 105.199 ± 0.001°
• γ: 90°
• Cell volume: 4809.96 ± 0.13 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: 0.0586
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No