Information card for entry 7248359

Structure parameters

• Formula: C48 H42 Cl3 Cu N2 O2 P2
• Calculated formula: C48 H42 Cl3 Cu N2 O2 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2c(Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)cccc2)c1ccccc1)(Cl)[n]1ccc(c2ccncc2)cc1.ClCCl.OC
• Title of publication: Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand
• Authors of publication: Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 2297 - 2305
• a: 15.5297 ± 0.0001 Å
• b: 19.398 ± 0.0002 Å
• c: 15.0582 ± 0.0001 Å
• α: 90°
• β: 99.942 ± 0.001°
• γ: 90°
• Cell volume: 4468.09 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No