Information card for entry 2108686

Structure parameters

• Chemical name: Poly[μ-aqua-(μ-4,4'-bipyridine)[μ~5~-3-(3-carboxy-5-carboxylatophenoxy)phthalato]-μ~3~-hydroxido-dinickel(II)]
• Formula: C26 H18 N2 Ni2 O11
• Calculated formula: C26 H18 N2 Ni2 O11
• 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: 9.2229 ± 0.0008 Å
• b: 12.2226 ± 0.001 Å
• c: 13.073 ± 0.0011 Å
• α: 112.261 ± 0.005°
• β: 106.134 ± 0.005°
• γ: 97.765 ± 0.006°
• Cell volume: 1261.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes