Information card for entry 2012893

Structure parameters

• Chemical name: catena-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')manganese(II)]- μ-thiosulfato-κ^2^O:S]
• Formula: C14 H16 Mn N2 O5 S2
• Calculated formula: C14 H16 Mn N2 O5 S2
• SMILES: [Mn]1(SS(=O)(=O)[O-])([OH2])([OH2])([n]2c(ccc3ccc4ccc([n]1c4c23)C)C)OS(=O)(=O)S[Mn]1([OH2])([OH2])[n]2c(ccc3ccc4ccc([n]1c4c23)C)C
• Title of publication: Bis(1,10-phenanthroline)(thiosulfato)manganese(II) methanol solvate and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline)manganese(II)]-μ-thiosulfato]
• Authors of publication: Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m455 - m458
• a: 15.38 ± 0.0012 Å
• b: 7.0779 ± 0.0005 Å
• c: 30.148 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3281.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No