Information card for entry 7055258

Structure parameters

• Formula: C57 H50 B Cu F4 N4 O2 P2
• Calculated formula: C57 H50 B Cu F4 N4 O2 P2
• Title of publication: Influences of the protonic state of an imidazole-phenanthroline ligand on the luminescence properties of copper(i) complexes: experimental and theoretical research
• Authors of publication: Liu, Xinfang; Li, Rongfang; Ma, Lufang; Feng, Xun; Ding, Yuqiang
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 619
• a: 10.3872 ± 0.0006 Å
• b: 14.4087 ± 0.001 Å
• c: 18.44 ± 0.001 Å
• α: 95.95 ± 0.02°
• β: 102 ± 0.014°
• γ: 109.68 ± 0.013°
• Cell volume: 2496.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No