Information card for entry 2021444

Structure parameters

• Chemical name: Poly[[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)bis[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>]cadmium(II)] <i>N</i>,<i>N</i>-dimethylformamide monosolvate methanol monosolvate]
• Formula: C27 H21 Cd N5 O9
• Calculated formula: C27 H21 Cd N5 O9
• 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: 12.829 ± 0.005 Å
• b: 15.854 ± 0.006 Å
• c: 20.769 ± 0.006 Å
• α: 90°
• β: 122.215 ± 0.018°
• γ: 90°
• Cell volume: 3574 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes