Information card for entry 7229105

Structure parameters

• Formula: C21 H20 Cd N6 O6
• Calculated formula: C21 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: 7.641 ± 0.003 Å
• b: 19.081 ± 0.007 Å
• c: 15.21 ± 0.006 Å
• α: 90°
• β: 91.496 ± 0.007°
• γ: 90°
• Cell volume: 2216.8 ± 1.5 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2293
• Weighted residual factors for all reflections included in the refinement: 0.2416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No