Information card for entry 2231942

Structure parameters

• Chemical name: (μ-2,2'-Bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^)bis[triaqua(sulfato-κ<i>O</i>)manganese(II)]
• Formula: C8 H18 Mn2 N4 O14 S2
• Calculated formula: C8 H18 Mn2 N4 O14 S2
• SMILES: S(=O)(=O)(O[Mn]1([OH2])([n]2ccc[n]3c2c2[n](ccc[n]12)[Mn]3([OH2])([OH2])([OH2])OS(=O)(=O)[O-])([OH2])[OH2])[O-]
• Title of publication: (μ-2,2'-Bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^)bis[triaqua(sulfato-κ<i>O</i>)manganese(II)]
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1349 - m1350
• a: 12.4401 ± 0.0018 Å
• b: 13.264 ± 0.0019 Å
• c: 12.8951 ± 0.0018 Å
• α: 90°
• β: 117.199 ± 0.003°
• γ: 90°
• Cell volume: 1892.5 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes