Information card for entry 2019694

Structure parameters

• Chemical name: poly[di-μ~2~-aqua-{μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-\ κ^2^<i>N</i>^4^:<i>N</i>^4'^}di-μ~3~-terephthalato-\ κ^3^<i>O</i>:<i>O</i>':<i>O</i>''-dicadmium(II)]
• Formula: C16 H16 Cd N3 O5
• Calculated formula: C16 H16 Cd N3 O5
• Title of publication: A three-dimensional Cd^II^ coordination framework: poly[di-μ~2~-aqua-{μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}di-μ~3~-terephthalato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''-dicadmium(II)]
• Authors of publication: Shen, Hong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 1025 - 1028
• a: 5.335 ± 0.004 Å
• b: 18.437 ± 0.014 Å
• c: 16.471 ± 0.012 Å
• α: 90°
• β: 90.488 ± 0.01°
• γ: 90°
• Cell volume: 1620 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0596
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes