Information card for entry 2108688

Structure parameters

• Chemical name: Poly[[μ-1,4-bis(pyridin-4-yl)benzene][μ-4-(3,5-dicarboxylatophenoxy)phthalato]dicobalt(II)]
• Formula: C48 H32 Co2 N4 O10
• Calculated formula: C48 H32 Co2 N4 O10
• 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: 12.068 ± 0.002 Å
• b: 14.523 ± 0.003 Å
• c: 14.662 ± 0.003 Å
• α: 68.654 ± 0.003°
• β: 79.061 ± 0.003°
• γ: 75.13 ± 0.003°
• Cell volume: 2300 ± 0.8 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: 0.0657
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1505
• 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