Information card for entry 2021445

Structure parameters

• Chemical name: Poly[[(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')[μ~3~-3-nitro-4-(pyridin-4-yl)benzoato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>]bis[μ~3~-3-nitro-4-(pyridin-4-yl)benzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>':<i>N</i>]dicadmium(II)] <i>N</i>,<i>N</i>-dimethylacetamide disolvate monohydrate]
• Formula: C38 H24 Cd2 N6 O14
• Calculated formula: C38 H24 Cd2 N6 O14
• Title of publication: Three novel topologically different metal‒organic frameworks built from 3-nitro-4-(pyridin-4-yl)benzoic acid
• Authors of publication: Qin, Tao; Zhang, Shunlin; Wang, Yixiong; Hou, Tianjiao; Zhu, Dunru; Jing, Su
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 2
• a: 8.342 ± 0.004 Å
• b: 13.903 ± 0.006 Å
• c: 23.568 ± 0.01 Å
• α: 86.84 ± 0.006°
• β: 89.264 ± 0.006°
• γ: 78.826 ± 0.006°
• Cell volume: 2677 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.114
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes