Information card for entry 2019962

Structure parameters

• Chemical name: Poly[[bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ~2~-3,3'-(diazenediyl)dibenzoato-κ^2^<i>O</i>:<i>O</i>']cadmium(II)] monohydrate]
• Formula: C34 H38 Cd N10 O5
• Calculated formula: C34 H38 Cd N10 O5
• Title of publication: Synthesis, structure and properties of a new three-dimensional interpenetrated metal‒organic framework with 3,3'-azodibenzoic acid (H~2~azdc) and 1,4-bis(1<i>H</i>-imidazol-1-yl)butane (bimb): {[Cd(azdc)(bimb)~2~]·H~2~O}~<i>n~</i>
• Authors of publication: Zhong, Ya-Qiang; Chen, Si-Chun; Zhang, Lei; Jing, Chu-Yue; Zhang, Kou-Lin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• a: 10.3202 ± 0.0013 Å
• b: 14.3929 ± 0.0013 Å
• c: 23.679 ± 0.003 Å
• α: 90°
• β: 99.157 ± 0.004°
• γ: 90°
• Cell volume: 3472.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes