Information card for entry 2008587

Structure parameters

• Chemical name: Disodium hexaaquacobalt(II) dihydrogen 1,2,4,5-benzenetetracarboxylate(2-) tetrahydrate
• Formula: C20 H28 Co Na2 O26
• Calculated formula: C20 H28 Co Na2 O26
• SMILES: c1c(C(=O)[O-])c(cc(C(=O)[O-])c1C(=O)O)C(=O)O.[Na+].[Na+].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.c1c(C(=O)[O-])c(cc(C(=O)[O-])c1C(=O)O)C(=O)O.O.O
• Title of publication: Disodium hexaaquacobalt(II) bis[dihydrogen 1,2,4,5-benzenetetracarboxylate(2 ‒)] tetrahydrate
• Authors of publication: Karanović, Ljiljana; Poleti, Dejan; Bogdanović, Goran A.; Spasojević-de Biré, Anne
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 911 - 913
• a: 7.32 ± 0.004 Å
• b: 20.15 ± 0.005 Å
• c: 10.448 ± 0.003 Å
• α: 90°
• β: 103.33 ± 0.04°
• γ: 90°
• Cell volume: 1499.5 ± 1 ų
• Cell temperature: 299 ± 3 K
• Ambient diffraction temperature: 299 ± 3 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections: 0.945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes