Information card for entry 2108687

Structure parameters

• Chemical name: Poly[[tetrakis[μ-1,4-bis(pyridin-4-yl)benzene]bis[μ~5~-3-(3,5-dicarboxylatophenoxy)phthalato]tetracobalt(II)] bis[1,4-bis(pyridin-4-yl)benzene]]
• Formula: C128 H85 Co4 N12 O18
• Calculated formula: C128 H84 Co4 N12 O18
• Title of publication: Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties
• Authors of publication: Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• a: 31.055 ± 0.009 Å
• b: 23.792 ± 0.006 Å
• c: 16.54 ± 0.004 Å
• α: 90°
• β: 94.255 ± 0.005°
• γ: 90°
• Cell volume: 12187 ± 6 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: 0.1677
• Residual factor for significantly intense reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.2474
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes