Information card for entry 2203093

Structure parameters

• Chemical name: Hexaaquacobalt(II) trans-bis(η^3^-pyridine-2,6- dicarboxylato-κ^3^O,N,O')cobaltate(II) dihydrate
• Formula: C14 H22 Co2 N2 O16
• Calculated formula: C14 H22 Co2 N2 O16
• SMILES: c1c2[n]3[Co]45([n]6c(C(=O)O4)cccc6C(=O)O5)(OC(=O)c3cc1)OC2=O.[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: Hexaaquacobalt(II) <i>trans</i>-bis(η^3^-pyridine-2,6-dicarboxylato-κ^3^<i>O,N,O</i>')cobaltate(II) dihydrate
• Authors of publication: Shiu, Kom-Bei; Yen, Chia-Hung; Liao, Fen-Ling; Wang, Sue-Lein
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m35 - m37
• a: 8.258 ± 0.006 Å
• b: 11.615 ± 0.008 Å
• c: 12.873 ± 0.009 Å
• α: 108.694 ± 0.011°
• β: 99.9 ± 0.012°
• γ: 98.089 ± 0.013°
• Cell volume: 1126.5 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1887
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes