Information card for entry 2222970

Structure parameters

• Chemical name: Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-\ κ^3^<i>N</i>,<i>N</i>',<i>O</i>]manganese(II) dihydrate
• Formula: C24 H22 Mn N4 O8 S2
• Calculated formula: C24 H22 Mn N4 O8 S2
• SMILES: O.[Mn]1234([n]5ccccc5C=[N]1c1ccccc1S(=O)(=O)O3)[n]1ccccc1C=[N]2c1ccccc1S(=O)(=O)O4.O
• Title of publication: Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]manganese(II) dihydrate
• Authors of publication: Zhao, Cheng-Qiang; Ou-Yang, Miao; Huang, Xue-Ren; Jiang, Yi-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1055 - m1056
• a: 20.041 ± 0.01 Å
• b: 7.918 ± 0.004 Å
• c: 16.409 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2604 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes