Information card for entry 2231686

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis[5-carboxy-2-(3-pyridyl)-1<i>H</i>-imidazole-4- carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^]cobalt(II)
• Formula: C20 H16 Co N6 O10
• Calculated formula: C20 H16 Co N6 O10
• SMILES: [Co]12([n]3c(C(=O)O1)c(C(=O)O)[nH]c3c1cccnc1)([n]1c(C(=O)O2)c(C(=O)O)[nH]c1c1cccnc1)([OH2])[OH2]
• Title of publication: <i>trans</i>-Diaquabis[5-carboxy-2-(3-pyridyl)-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^]cobalt(II)
• Authors of publication: Zhan, Qing-Guang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1186
• a: 7.024 ± 0.0009 Å
• b: 8.877 ± 0.0012 Å
• c: 9.324 ± 0.0012 Å
• α: 81.598 ± 0.002°
• β: 83.29 ± 0.002°
• γ: 67.755 ± 0.002°
• Cell volume: 531.12 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes