Information card for entry 2237354

Structure parameters

• Chemical name: Bis[μ-4-(4-carboxyphenoxy)phthalato]bis[triaquacobalt(II)]
• Formula: C30 H28 Co2 O20
• Calculated formula: C30 H28 Co2 O20
• SMILES: c12c(cc(cc1)Oc1ccc(cc1)C(=O)O)C(=O)O[Co]1([OH2])([OH2])([OH2])[O]=C2O[Co]2(OC(=O)c3c(ccc(c3)Oc3ccc(cc3)C(=O)O)C(=[O]2)O1)([OH2])([OH2])[OH2]
• Title of publication: Bis[μ-4-(4-carboxyphenoxy)phthalato]bis[triaquacobalt(II)]
• Authors of publication: Wang, Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m101
• a: 14.451 ± 0.011 Å
• b: 9.558 ± 0.007 Å
• c: 11.404 ± 0.009 Å
• α: 90°
• β: 92.749 ± 0.015°
• γ: 90°
• Cell volume: 1573 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.141
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes