Information card for entry 2022223

Structure parameters

• Chemical name: Poly[[diaquatris[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]bis[μ~6~-4-(2,4-dicarboxylatophenoxy)phthalato]tetracobalt(II)] hexahydrate]
• Formula: C68 H58 Co4 N12 O26
• Calculated formula: C68 H58 Co4 N12 O26
• Title of publication: A novel three-dimensional tetranuclear Co^II^ coordination polymer with water hexamers based on the V-shaped tetracarboxylate ligand 4-(2,4-dicarboxylatophenoxy)phthalate
• Authors of publication: Li, Shao-Dong; Su, Feng; Zhu, Miao-Li; Lu, Li-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 9
• a: 10.66 ± 0.002 Å
• b: 12.24 ± 0.002 Å
• c: 14.649 ± 0.003 Å
• α: 109.48 ± 0.03°
• β: 107.32 ± 0.03°
• γ: 98.87 ± 0.03°
• Cell volume: 1650.6 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes