Information card for entry 2205690

Structure parameters

• Chemical name: catena-Poly[[μ-1,2-di-4-pyridylethylene-κ^2^N,N'-[aqua(2-sulfonatobenzoato- κ^2^O,O')copper(II)]] N,N-dimethylformamide]
• Formula: C22 H23 Cu N3 O7 S
• Calculated formula: C22 H23 Cu N3 O7 S
• SMILES: [Cu]1(OC(=O)c2c(S(=O)(=O)O1)cccc2)([OH2])([n]1ccc(cc1)/C=C/c1ccncc1)[n]1ccc(/C=C/c2cc[n]([Cu]3([OH2])OC(=O)c4c(S(=O)(=O)O3)cccc4)cc2)cc1.O=CN(C)C.O=CN(C)C
• Title of publication: <i>catena</i>-Poly[[μ-1,2-di-4-pyridylethylene-κ^2^<i>N</i>,<i>N</i>'-[aqua(2-sulfonatobenzoato-κ^2^<i>O</i>,<i>O</i>')copper(II)]] <i>N</i>,<i>N</i>-dimethylformamide]<i></i>
• Authors of publication: Hong-Ping Xiao; Qian Shi; Ya-Qian Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m907 - m909
• a: 17.3586 ± 0.0019 Å
• b: 9.8854 ± 0.0011 Å
• c: 26.324 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4517.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.417
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes