Information card for entry 7717322

Structure parameters

• Formula: C87 H65 Cl2 Cu I N4 P3
• Calculated formula: C87 H65 Cl2 Cu I N4 P3
• Title of publication: Heteroleptic Mononuclear Cu(I) Halide Complexes Containing Carbazolyl Substituted Phenyl Diphosphine and Monophosphine: Structures, Photophysical and Electroluminescent Properties
• Authors of publication: Chen, Zhun; Xu, Wei; Zhu, Rui-Qin; Liu, Li; Zhong, Xinxin; Zhou, Guijiang; Li, Fa-Bao; Qin, Hai-Mei
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.3873 ± 0.0001 Å
• b: 15.8741 ± 0.0002 Å
• c: 24.5313 ± 0.0003 Å
• α: 98.94 ± 0.001°
• β: 100.936 ± 0.001°
• γ: 97.501 ± 0.001°
• Cell volume: 3869.47 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0645
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No