Information card for entry 7059799

Structure parameters

• Formula: C48 H44 Cl Cu N2 O7 P2
• Calculated formula: C48 H44 Cl Cu N2 O7 P2
• Title of publication: Luminescent phosphine copper(i) complexes with various functionalized bipyridine ligands: synthesis, structures, photophysics and computational study
• Authors of publication: Jin, Xin-Xin; Li, Tian; Shi, Dong-Po; Luo, Li-Juan; Su, Qian-Qian; Xiang, Jing; Xu, Hai-Bing; Leung, Chi-Fai; Zeng, Ming-Hua
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 13393 - 13400
• a: 11.0935 ± 0.0009 Å
• b: 12.6712 ± 0.0012 Å
• c: 16.926 ± 0.0012 Å
• α: 90.048 ± 0.007°
• β: 101.514 ± 0.006°
• γ: 100.446 ± 0.007°
• Cell volume: 2291 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1273
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No