Information card for entry 2208033

Structure parameters

• Chemical name: catena-Poly[[cis-diaqua(2,2'-bipyridine)manganese(II)]-μ-5- sulfonatosalicylato]
• Formula: C17 H16 Mn N2 O8 S
• Calculated formula: C17 H16 Mn N2 O8 S
• SMILES: [Mn]1([n]2ccccc2c2[n]1cccc2)(OS(=O)(=O)c1ccc(O)c(c1)C(=O)[O-])([OH2])([OH2])OC(=O)c1c(O)ccc(S(=O)(=O)O[Mn]2([n]3ccccc3c3[n]2cccc3)([OH2])[OH2])c1
• Title of publication: <i>catena</i>-Poly[[<i>cis</i>-diaqua(2,2'-bipyridine)manganese(II)]-μ-5-sulfonatosalicylato]
• Authors of publication: Fan, Sai-Rong; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m292 - m294
• a: 14.5715 ± 0.0007 Å
• b: 7.708 ± 0.0004 Å
• c: 18.3799 ± 0.0009 Å
• α: 90°
• β: 112.291 ± 0.001°
• γ: 90°
• Cell volume: 1910.11 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No