Information card for entry 2212252

Structure parameters

• Chemical name: catena-Poly[[[diaquabis(N,N'-dimethylformamide)cobalt(II)]- μ-1,4-benzenedicarboxylato-κ^2^O:O'] N,N'-dimethylformamide solvate monohydrate]
• Formula: C20 H40 Co N4 O12
• Calculated formula: C20 H40 Co N4 O12
• SMILES: [Co]([O]=CN(C)C)([O]=CN(C)C)([OH2])([OH2])OC(=O)c1ccc(cc1)C(=O)O[Co]([OH2])(OC(=O)c1ccc(C(=O)[O-])cc1)([O]=CN(C)C)([O]=CN(C)C)[OH2].O=CN(C)C.O.O=CN(C)C.O.O=CN(C)C.O.O=CN(C)C.O
• Title of publication: <i>catena</i>-Poly[[[diaquabis(<i>N</i>,<i>N</i>-dimethylformamide)cobalt(II)]-μ-1,4-benzenedicarboxylato-κ^2^<i>O</i>:<i>O</i>'] <i>N</i>,<i>N</i>-dimethylformamide solvate monohydrate]
• Authors of publication: Chun-Xiao Jia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m615 - m616
• a: 8.6025 ± 0.001 Å
• b: 8.959 ± 0.0011 Å
• c: 11.4191 ± 0.0013 Å
• α: 83.598 ± 0.001°
• β: 74.289 ± 0.001°
• γ: 61.744 ± 0.001°
• Cell volume: 746.09 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes