Information card for entry 4335807

Structure parameters

• Formula: C135 H108 Cl12 Cu3 F9 N12 O12 P6
• Calculated formula: C134.997 H108 Cl11.999 Cu3 F9 N12 O12 P6
• 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: 15.6798 ± 0.0015 Å
• b: 16.7611 ± 0.0016 Å
• c: 27.175 ± 0.003 Å
• α: 85.433 ± 0.002°
• β: 84.598 ± 0.003°
• γ: 74.193 ± 0.002°
• Cell volume: 6830.4 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No