Information card for entry 2219057

Structure parameters

• Chemical name: 2,2'-Biimidazolium hexaaquamanganese(II) bis(sulfate)
• Formula: C6 H20 Mn N4 O14 S2
• Calculated formula: C6 H20 Mn N4 O14 S2
• SMILES: [nH]1cc[nH+]c1c1[nH]cc[nH+]1.O=S(=O)([O-])[O-].[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2].[O-]S(=O)(=O)[O-]
• Title of publication: 2,2'-Biimidazolium hexaaquamanganese(II) bis(sulfate)
• Authors of publication: Kurawa, Mukhtar A.; Adams, Christopher J.; Orpen, A. Guy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1005
• a: 6.0625 ± 0.0007 Å
• b: 11.606 ± 0.002 Å
• c: 12.218 ± 0.002 Å
• α: 90°
• β: 91.65 ± 0.01°
• γ: 90°
• Cell volume: 859.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes