Information card for entry 2206126

Structure parameters

• Formula: C19 H16 Mn N2 O8 S
• Calculated formula: C19 H16 Mn N2 O8 S
• SMILES: [Mn]1([n]2cccc3ccc4ccc[n]1c4c23)(OS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)([OH2])([OH2])OC(=O)c1c(O)ccc(S(=O)(=O)O[Mn]2([n]3cccc4ccc5ccc[n]2c5c34)([OH2])[OH2])c1
• Title of publication: <i>catena</i>-Poly[[<i>cis</i>-diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ~2~-5-sulfonatosalicylato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Fan, Sai-Rong; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1298 - m1300
• a: 14.4166 ± 0.0009 Å
• b: 7.7234 ± 0.0005 Å
• c: 18.6868 ± 0.0011 Å
• α: 90°
• β: 107.421 ± 0.001°
• γ: 90°
• Cell volume: 1985.2 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0333
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No