Information card for entry 7044136

Structure parameters

• Formula: C48 H49 Cu F6 N5 O P3
• Calculated formula: C48 H49 Cu F6 N5 O P3
• Title of publication: Synthesis, structure, and photophysical properties of copper(I) triphenylphosphine complexes with functionalized 3-(2′-pyrimidinyl)-1,2,4-triazole ligands
• Authors of publication: Chen, Jing-Lin; Zeng, Xue-Hua; Luo, Yan-Sheng; Wang, Wan-Man; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wong, Wai-Yeung (Raymond); Huang, S.P.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.8794 ± 0.0006 Å
• b: 12.0238 ± 0.0007 Å
• c: 18.0436 ± 0.001 Å
• α: 74.083 ± 0.001°
• β: 85.898 ± 0.001°
• γ: 76.804 ± 0.001°
• Cell volume: 2412.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1028
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No