Information card for entry 2209415

Structure parameters

• Chemical name: catena-Poly[[diaqua(2-sulfonatobenzoato-κ^2^O:O')zinc(II)]- μ~2~-1,3-di-4-pyridylpropane-κ^2^N:N'] N,N-dimethylformamide solvate]
• Formula: C23 H29 N3 O8 S Zn
• Calculated formula: C23 H29 N3 O8 S Zn
• SMILES: [Zn]1(OC(=O)c2c(S(=O)(=O)O1)cccc2)([OH2])([OH2])([n]1ccc(cc1)CCCc1ccncc1)[n]1ccc(CCCc2cc[n]([Zn]3(OC(=O)c4c(S(=O)(=O)O3)cccc4)([OH2])[OH2])cc2)cc1.O=CN(C)C.O=CN(C)C
• Title of publication: <i>catena</i>-Poly[[[diaqua(2-sulfonatobenzoato-κ^2^<i>O</i>:<i>O</i>')zinc(II)]-μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>'] <i>N</i>,<i>N</i>-dimethylformamide solvate]
• Authors of publication: Hong-Ping Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1611 - m1612
• a: 16.933 ± 0.004 Å
• b: 10.918 ± 0.003 Å
• c: 28.116 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5198 ± 2 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: 0.079
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes