Information card for entry 2221068

Structure parameters

• Chemical name: <i>catena</i>-Poly[di-μ-aqua-bis[aquacobalt(II)]]-bis(μ~3~-1<i>H</i>- benzimidazole-5,6-dicarboxylato]
• Formula: C18 H16 Co2 N4 O12
• Calculated formula: C18 H16 Co2 N4 O12
• SMILES: [Co]1234([OH2])[O]=C(c5c(C(=O)[O-])cc6[nH]cnc6c5)O[Co]([OH2]2)([OH2]3)([OH2])([O]=C(O1)c1cc2[n](c[nH]c2cc1C(=O)[O-])[Co]12([OH2])[O]=C(c3cc5[n]4c[nH]c5cc3C(=O)[O-])O[Co]([OH2])([OH2]1)[OH2]2)[n]1c[nH]c2c1cc(c(c2)C(=O)[O-])C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[di-μ-aqua-bis[aquacobalt(II)]]-bis(μ~3~-1<i>H</i>-benzimidazole-5,6-dicarboxylato]
• Authors of publication: Xu, Kai; Yu, Li-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m295
• a: 8.8161 ± 0.0008 Å
• b: 9.1092 ± 0.0006 Å
• c: 13.0236 ± 0.0013 Å
• α: 90°
• β: 97.693 ± 0.007°
• γ: 90°
• Cell volume: 1036.48 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes