Information card for entry 7717319

Structure parameters

• Formula: C75 H59 Cl7 Cu N2 P3
• Calculated formula: C75 H59 Cl7 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: 10.0502 ± 0.0001 Å
• b: 14.4627 ± 0.0002 Å
• c: 24.4386 ± 0.0003 Å
• α: 106.002 ± 0.001°
• β: 95.281 ± 0.001°
• γ: 97.943 ± 0.001°
• Cell volume: 3350.08 ± 0.07 ų
• Cell temperature: 199.99 ± 0.1 K
• Ambient diffraction temperature: 199.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2272
• Weighted residual factors for all reflections included in the refinement: 0.2362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No