Information card for entry 7028157

Structure parameters

• Chemical name: Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) tetrafluoroborate toluene solvate (1:1) # IUPAC name, in full
• Formula: C17.5 H16 B0.5 Cu0.5 F2 N2
• Calculated formula: C35 H31 B Cu F4 N4
• Title of publication: Copper(I) chelated by 2,9-dimethyl-1,10-phenanthroline and bridged by 4,4′-bipyridine or trans-1,2-bis(pyridin-4-yl)ethene to give discrete dinuclear and polymeric cations
• Authors of publication: Blake, Alexander J.; Hill, Stuart J.; Hubberstey, Peter; Li, Wan-Sheung
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 6
• Pages of publication: 909
• a: 15.875 ± 0.004 Å
• b: 15.493 ± 0.004 Å
• c: 13.296 ± 0.003 Å
• α: 90°
• β: 106.71 ± 0.02°
• γ: 90°
• Cell volume: 3132.1 ± 1.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.0556
• Goodness-of-fit parameter for all reflections: 1.2502
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No