Information card for entry 7229102

Structure parameters

• Formula: C40 H38 Cd2 N12 O11
• Calculated formula: C40 H38 Cd2 N12 O11
• 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: 11.0996 ± 0.0005 Å
• b: 17.0411 ± 0.0008 Å
• c: 22.1425 ± 0.001 Å
• α: 90°
• β: 95.144 ± 0.001°
• γ: 90°
• Cell volume: 4171.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No