Information card for entry 7014660

Structure parameters

• Formula: C55 H47 B Cl1.5 Cu F4 N3 O5 P2
• Calculated formula: C55 H40 B Cl3 Cu F4 N3 O4 P2
• Title of publication: Neutral copper(I) phosphorescent complexes from their ionic counterparts with 2-(2'-quinolyl)benzimidazole and phosphine mixed ligands.
• Authors of publication: Min, Junhui; Zhang, Qisheng; Sun, Wei; Cheng, Yanxiang; Wang, Lixiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 686 - 693
• a: 12.5097 ± 0.0009 Å
• b: 13.1767 ± 0.0009 Å
• c: 18.4459 ± 0.0013 Å
• α: 100.981 ± 0.001°
• β: 93.107 ± 0.001°
• γ: 114.832 ± 0.001°
• Cell volume: 2678 ± 0.3 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No