Information card for entry 7057567

Structure parameters

• Common name: [Cd(BTA)(H2O)]n
• Formula: C2 H3 Cd N9 O
• Calculated formula: C2 H3 Cd N9 O
• Title of publication: A highly stable and tightly packed 3D energetic coordination polymer assembled from nitrogen-rich tetrazole derivatives
• Authors of publication: Zhang, Mi; Xu, Jian-Gang; Zhang, Ning-Ning; Lu, Jian; Xin, Xue-Huan; Zheng, Fa-Kun; Guo, Guo-Cong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 13927
• a: 6.5352 ± 0.0019 Å
• b: 9.853 ± 0.003 Å
• c: 10.779 ± 0.003 Å
• α: 90°
• β: 95.922 ± 0.004°
• γ: 90°
• Cell volume: 690.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0136
• Residual factor for significantly intense reflections: 0.0122
• Weighted residual factors for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No