Information card for entry 2231402

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis[4-carboxy-5-carboxylato-2-(pyridin-1-ium-4-yl)- 1<i>H</i>-imidazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>^5^]cobalt(II)
• Formula: C20 H16 Co N6 O10
• Calculated formula: C20 H16 Co N6 O10
• SMILES: c12c(C(=O)O)nc(c3cc[nH+]cc3)n1[Co]1(n3c(C(=O)O1)c(nc3c1cc[nH+]cc1)C(=O)O)(OC2=O)([OH2])[OH2]
• Title of publication: <i>trans</i>-Diaquabis[4-carboxy-5-carboxylato-2-(pyridin-1-ium-4-yl)-1<i>H</i>-imidazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>^5^]cobalt(II)
• Authors of publication: Sun, Lin; Huang, Yu Hua; Chen, Ting Ting; Deng, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1257
• a: 7.4146 ± 0.0017 Å
• b: 20.19 ± 0.005 Å
• c: 13.361 ± 0.003 Å
• α: 90°
• β: 97.383 ± 0.003°
• γ: 90°
• Cell volume: 1983.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes