Information card for entry 7107564

Structure parameters

• Chemical name: Bis(2,2':6',2''-terpyridine)copper(II) ditetrafluoroborate
• Formula: C30 H22 B2 Cu F8 N6
• Calculated formula: C30 H22 B2 Cu F8 N6
• Title of publication: Suppression of the Jahn-Teller distortion in a six-coordinate copper(II) complex by doping it into a host lattice
• Authors of publication: Rebecca Docherty; Floriana Tuna; Colin Kilner; Eric McInnes; Malcolm A.Halcrow
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4055
• a: 12.669 ± 0.001 Å
• b: 12.5211 ± 0.001 Å
• c: 19.4354 ± 0.0016 Å
• α: 90°
• β: 95.776 ± 0.004°
• γ: 90°
• Cell volume: 3067.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No