Information card for entry 7107434

Structure parameters

• Formula: C20 H22 B Cu F4 N4
• Calculated formula: C20 H22 B Cu F4 N4
• Title of publication: Copper complexes of a novel non-innocent quadridentate ligand
• Authors of publication: Gojko Buncic; Zhiguang Xiao; Simon C. Drew; Jonathan M. White; Anthony G. Wedd; Paul S. Donnelly
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2570
• a: 15.881 ± 0.0003 Å
• b: 14.7548 ± 0.0003 Å
• c: 17.2786 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4048.74 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No