Information card for entry 2205070

Structure parameters

• Chemical name: catena-Poly[[[bis(μ-4-cyanobenzoato-κ^2^O:O)bis[(4-cyanobenzoato- κ^2^O,O')cobalt(II)]]-di-μ-4,4'-bipyridine-κ^4^N:N'] dihydrate dimethylformamide tetrasolvate]
• Formula: C64 H64 Co2 N12 O14
• Calculated formula: C64 H64 Co2 N12 O14
• SMILES: [Co]123([O]=C(O1)c1ccc(cc1)C#N)([n]1ccc(cc1)c1ccncc1)[O]=C(c1ccc(cc1)C#N)O[Co]1([O]=C(O2)c2ccc(cc2)C#N)([O]=C(O1)c1ccc(cc1)C#N)([n]1ccc(cc1)c1cc[n](cc1)[Co]12([O]=C(O1)c1ccc(cc1)C#N)[O]=C(c1ccc(cc1)C#N)O[Co]1([O]=C(O2)c2ccc(cc2)C#N)(OC(=[O]1)c1ccc(cc1)C#N)[n]1ccc(c2cc[n]3cc2)cc1)[n]1ccc(cc1)c1ccncc1.O=CN(C)C.O=CN(C)C.O.O=CN(C)C.O=CN(C)C.O.O=CN(C)C.O=CN(C)C.O.O=CN(C)C.O=CN(C)C.O
• Title of publication: <i>catena</i>-Poly[[[bis(μ-4-cyanobenzoato-κ^2^<i>O</i>:<i>O</i>)bis[(4-cyanobenzoato-κ^2^<i>O,O</i>')cobalt(II)]]-di-μ-4,4'-bipyridine-κ^4^<i>N</i>:<i>N</i>'] dihydrate dimethylformamide tetrasolvate]
• Authors of publication: He, Hong-Yin; Zhu, Long-Guan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m311 - m313
• a: 17.6227 ± 0.0009 Å
• b: 11.3661 ± 0.0005 Å
• c: 17.1939 ± 0.0007 Å
• α: 90°
• β: 110.011 ± 0.002°
• γ: 90°
• Cell volume: 3236 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.083
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes