Information card for entry 2240477

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquabis(4-formylbenzoato-κ<i>O</i>^1^)cobalt(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']
• Formula: C20 H18 Co N2 O8
• Calculated formula: C20 H18 Co N2 O8
• SMILES: [Co](OC(=O)c1ccc(cc1)C=O)(OC(=O)c1ccc(cc1)C=O)([OH2])([OH2])[n]1cc[n](cc1)[Co](OC(=O)c1ccc(cc1)C=O)(OC(=O)c1ccc(cc1)C=O)([OH2])([OH2])[n]1ccncc1
• Title of publication: Crystal structure of <i>catena</i>-poly[[diaquabis(4-formylbenzoato-κ<i>O</i>^1^)cobalt(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Aşkın, Gülçin Şefiye; Çelik, Fatih; Dilek, Nefise; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: 339 - 341
• a: 22.1623 ± 0.0006 Å
• b: 7.1193 ± 0.0002 Å
• c: 12.2911 ± 0.0003 Å
• α: 90°
• β: 94.432 ± 0.001°
• γ: 90°
• Cell volume: 1933.49 ± 0.09 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: 0.0263
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes