Information card for entry 2214061

Structure parameters

• Chemical name: catena-Poly[[aqua(pyrazine-2-carboxylato)cobalt(II)]-μ-pyrazine-2-carboxylato]
• Formula: C10 H8 Co N4 O5
• Calculated formula: C10 H8 Co N4 O5
• SMILES: [Co]12([n]3c(C(=O)O1)cncc3)([n]1c(cncc1)C(=O)O2)([OH2])[n]1cc[n]2[Co]3([n]4c(C(=O)O3)cncc4)(OC(=O)c2c1)[OH2]
• Title of publication: <i>catena</i>-Poly[[aqua(pyrazine-2-carboxylato)cobalt(II)]-μ-pyrazine-2-carboxylato]
• Authors of publication: Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling; Hao, Lu-Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1882 - m1882
• a: 8.0121 ± 0.001 Å
• b: 9.5327 ± 0.001 Å
• c: 15.023 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1147.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes