Information card for entry 2233009

Structure parameters

• Chemical name: Hexaaquacobalt(II) bis(5-acetyl-2-hydroxybenzoate) dihydrate
• Formula: C18 H30 Co O16
• Calculated formula: C18 H30 Co O16
• SMILES: C(=O)(c1c(ccc(c1)C(=O)C)O)[O-].[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].O.C(=O)(c1cc(ccc1O)C(=O)C)[O-].O
• Title of publication: Hexaaquacobalt(II) bis(5-acetyl-2-hydroxybenzoate) dihydrate
• Authors of publication: Han, Li-Jun; Yang, Shu-Ping; Fu, Lin-Lin; Gao, Hai-Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1733
• a: 10.6238 ± 0.001 Å
• b: 13.6271 ± 0.0012 Å
• c: 33.318 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4823.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes