Information card for entry 2021050

Structure parameters

• Chemical name: <i>catena</i>-Poly[μ~2~-aqua-triaqua{μ~4~-5-[4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato}{μ~3~-5-[4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato}dicobalt(II)]
• Formula: C32 H28 Co2 O18
• Calculated formula: C32 H28 Co2 O18
• Title of publication: A three-dimensional twofold interpenetrated cobalt(II) MOF containing a flexible carboxylate-based ligand: synthesis, structure and magnetic properties
• Authors of publication: An, Yan-Yan; Lu, Li-Ping; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 4
• a: 10.7964 ± 0.0005 Å
• b: 10.9649 ± 0.0006 Å
• c: 14.3692 ± 0.0007 Å
• α: 96.412 ± 0.002°
• β: 110.682 ± 0.002°
• γ: 92.9 ± 0.002°
• Cell volume: 1574.03 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes