Information card for entry 2206761

Structure parameters

• Chemical name: catena-Poly[4,4'-bipyridinium [[diaquadisulfatomanganate(II)]-μ-4,4'- bipyridine-κ^2^N:N'] dihydrate]
• Formula: C20 H26 Mn N4 O12 S2
• Calculated formula: C20 H26 Mn N4 O12 S2
• SMILES: [Mn](OS(=O)(=O)[O-])(OS(=O)(=O)[O-])([OH2])([OH2])([n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1cc[n](cc1)[Mn](OS(=O)(=O)[O-])(OS(=O)(=O)[O-])([OH2])[OH2].O.O.O.O.[nH+]1ccc(cc1)c1cc[nH+]cc1.[nH+]1ccc(cc1)c1cc[nH+]cc1
• Title of publication: <i>catena</i>-Poly[4,4'-bipyridinium [[diaquadisulfatomanganate(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Authors of publication: Fan, Sai-Rong; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1689 - m1691
• a: 6.9619 ± 0.0008 Å
• b: 9.3723 ± 0.0011 Å
• c: 9.9791 ± 0.0011 Å
• α: 74.9 ± 0.002°
• β: 89.418 ± 0.002°
• γ: 78.241 ± 0.002°
• Cell volume: 614.82 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No