Information card for entry 2208822

Structure parameters

• Chemical name: Hexaaquamanganese(II) bis[2-(carboxylatomethylsulfanyl)pyridine N-oxide]
• Formula: C14 H24 Mn N2 O12 S2
• Calculated formula: C14 H24 Mn N2 O12 S2
• SMILES: c1c(n(=O)ccc1)SCC(=O)[O-].[Mn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].c1cccc(n1=O)SCC(=O)[O-]
• Title of publication: Hexaaquamanganese(II) bis[2-(carboxylatomethylsulfanyl)pyridine <i>N</i>-oxide]
• Authors of publication: Samuel Robinson Jebas; Balasingh Ravindran Durai Nayagam; Thailampillai Balasubramanian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1069 - m1070
• a: 7.413 ± 0.001 Å
• b: 7.079 ± 0.001 Å
• c: 20.632 ± 0.002 Å
• α: 90°
• β: 99.53 ± 0.007°
• γ: 90°
• Cell volume: 1067.8 ± 0.2 ų
• Cell temperature: 303 ± 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 significantly intense reflections: 0.0239
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes