Information card for entry 2203673

Structure parameters

• Formula: C14 H12 Co N2 O10
• Calculated formula: C14 H12 Co N2 O10
• SMILES: [OH2][Co]12([n]3cc(ccc3C(=O)O1)C(=O)O)([n]1cc(ccc1C(=O)O2)C(=O)O)[OH2]
• Title of publication: Diaquabis(pyridine-2,5-dicarboxylato)cobalt(II)
• Authors of publication: Xu, Ying; Han, Lei; Lou, Ben-Yong; Hong, Mao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m585 - m586
• a: 5.0699 ± 0.0001 Å
• b: 6.6184 ± 0.0001 Å
• c: 12.3638 ± 0.0007 Å
• α: 94.71 ± 0.03°
• β: 98.5 ± 0.03°
• γ: 110.185 ± 0.016°
• Cell volume: 381.13 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes