Information card for entry 2019955

Structure parameters

• Chemical name: Poly[bis{μ~2~-1-[(1<i>H</i>-benzimidazolyl)methyl]-1<i>H</i>-tetrazole-κ^2^<i>N</i>^3^:<i>N</i>^4^}(μ~4~-butanedioato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)(μ~2~-butanedioato-κ^2^<i>O</i>^1^:<i>O</i>^4^)dicadmium]
• Formula: C13 H12 Cd N6 O4
• Calculated formula: C13 H12 Cd N6 O4
• Title of publication: A two-dimensional layered Cd^II^ coordination polymer with a three-dimensional supramolecular architecture incorporating mixed multidentate <i>N</i>- and <i>O</i>-donor ligands
• Authors of publication: Huang, Qiu-Ying; Su, Ming-Yang; Meng, Xiang-Ru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• a: 7.9867 ± 0.0016 Å
• b: 8.3516 ± 0.0017 Å
• c: 11.604 ± 0.002 Å
• α: 90.5 ± 0.03°
• β: 103.76 ± 0.03°
• γ: 101.4 ± 0.03°
• Cell volume: 735.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0249
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes