Information card for entry 7229101

Structure parameters

• Formula: C20 H20 Cd N6 O6
• Calculated formula: C20 H20 Cd N6 O6
• 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: 9.785 ± 0.002 Å
• b: 10.345 ± 0.003 Å
• c: 11.126 ± 0.003 Å
• α: 78.4 ± 0.009°
• β: 82.174 ± 0.012°
• γ: 82.427 ± 0.011°
• Cell volume: 1086.6 ± 0.5 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No