Information card for entry 4335802

Structure parameters

• Formula: C29 H29 Cu I N4 P
• Calculated formula: C29 H29 Cu I N4 P
• SMILES: I[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2ccccc2c2n[nH]c([n]12)C(C)(C)C
• Title of publication: Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2'-Pyridyl)-1,2,4-triazole Chelating Ligands
• Authors of publication: Jing-Lin Chen; Xing-Fu Cao; Jin-Yun Wang; Li-Hua He; Zong-Yong Liu; He-Rui Wen; Zhong-Ning Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9727 - 9740
• a: 10.8694 ± 0.0002 Å
• b: 17.0146 ± 0.0003 Å
• c: 16.039 ± 0.0003 Å
• α: 90°
• β: 99.975 ± 0.001°
• γ: 90°
• Cell volume: 2921.39 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No