Information card for entry 2233089

Structure parameters

• Chemical name: Bis(μ-pyridinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[triaqua(sulfato-κ<i>O</i>)manganese(II)]
• Formula: C12 H22 Mn2 N2 O18 S2
• Calculated formula: C12 H22 Mn2 N2 O18 S2
• SMILES: c1(cccc[nH+]1)C1=[O][Mn](OC(c2cccc[nH+]2)=[O][Mn](O1)(OS(=O)(=O)[O-])([OH2])([OH2])[OH2])(OS(=O)(=O)[O-])([OH2])([OH2])[OH2]
• Title of publication: Bis(μ-pyridinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[triaqua(sulfato-κ<i>O</i>)manganese(II)]
• Authors of publication: Rasekh, Hossein Ali; Bahrami, Bohlul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m88
• a: 16.886 ± 0.003 Å
• b: 7.6022 ± 0.0015 Å
• c: 18.07 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2319.7 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes