Information card for entry 2237797

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tetraaquacadmium]-μ-5,5'-(1,4-phenylene)di(tetrazol-2-ido)-κ^2^<i>N</i>^2^:<i>N</i>^2'^]
• Formula: C8 H12 Cd N8 O4
• Calculated formula: C8 H12 Cd N8 O4
• SMILES: [Cd]([OH2])([OH2])([OH2])([OH2])(n1nc(nn1)c1ccc(c2nnn[n-]2)cc1)n1nc(nn1)c1ccc(cc1)c1n[n](nn1)[Cd]([OH2])([OH2])([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[tetraaquacadmium]-μ-5,5'-(1,4-phenylene)di(tetrazol-2-ido)-κ^2^<i>N</i>^2^:<i>N</i>^2'^]
• Authors of publication: Dang, Qinqin; Caiyun, Han
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: m283
• a: 5.3188 ± 0.0004 Å
• b: 11.1525 ± 0.0014 Å
• c: 12.0279 ± 0.0008 Å
• α: 90°
• β: 101.256 ± 0.007°
• γ: 90°
• Cell volume: 699.75 ± 0.11 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: 0.0629
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes