Information card for entry 7717320

Structure parameters

• Formula: C73 H55 Br Cl2 Cu N2 P3
• Calculated formula: C73 H55 Br Cl2 Cu N2 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: 10.3105 ± 0.0001 Å
• b: 16.2735 ± 0.0001 Å
• c: 37.9409 ± 0.0002 Å
• α: 90°
• β: 94.032 ± 0.001°
• γ: 90°
• Cell volume: 6350.27 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0387
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No