Information card for entry 2211159

Structure parameters

• Chemical name: catena-Poly[4,4'-bipyridinium(2+) [[di-μ-formato-κ^4^O:O-bis[aqua(sulfato-κO) manganese(II)]]-di-μ-4,4'-bipyridine-1κN:1'κN';2κN:2'κN'] dihydrate]
• Formula: C32 H36 Mn2 N6 O16 S2
• Calculated formula: C32 H36 Mn2 N6 O16 S2
• SMILES: [Mn]12(OS(=O)(=O)[O-])([OH2])([n]3ccc(c4ccncc4)cc3)[O](C=O)[Mn]([OH2])([O]1C=O)(OS(=O)(=O)[O-])([n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1cc[n](cc1)[Mn]1([OH2])(OS(=O)(=O)[O-])[O](C=O)[Mn]([OH2])([O]1C=O)(OS(=O)(=O)[O-])[n]1ccc(c3cc[n]2cc3)cc1.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(2+) [[di-μ-formato-κ^4^<i>O</i>:<i>O</i>-bis[aqua(sulfato-κ<i>O</i>)manganate(II)]]-di-μ-4,4'-bipyridine-1κ<i>N</i>:1'κ<i>N</i>';2κ<i>N</i>:2'κ<i>N</i>'] dihydrate]
• Authors of publication: Jian-Li Lin; Yue-Qing Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3131 - m3133
• a: 9.363 ± 0.0019 Å
• b: 9.991 ± 0.002 Å
• c: 10.629 ± 0.002 Å
• α: 89.79 ± 0.03°
• β: 79.7 ± 0.03°
• γ: 73.99 ± 0.03°
• Cell volume: 939.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes