Information card for entry 7229100

Structure parameters

• Formula: C80 H78 Cd4 N12 O27
• Calculated formula: C80 H68 Cd4 N12 O27
• Title of publication: A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties
• Authors of publication: Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 18.4042 ± 0.0005 Å
• b: 15.8373 ± 0.0003 Å
• c: 27.9693 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8152.3 ± 0.3 ų
• Cell temperature: 223 ± 0.1 K
• Ambient diffraction temperature: 223 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No