Information card for entry 7213767

Structure parameters

• Formula: C42 H39 Cu3 I2 N4 P2
• Calculated formula: C40 H36 Cu3 I2 N3 P2
• Title of publication: Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties
• Authors of publication: Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 359
• a: 23.0737 ± 0.0014 Å
• b: 11.5118 ± 0.0007 Å
• c: 16.6416 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4420.3 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No