Information card for entry 2206473

Structure parameters

• Chemical name: 4,4'-Bipyridinium(2+) hexaaquairon(II) disulfate dihydrate
• Formula: C10 H26 Fe N2 O16 S2
• Calculated formula: C10 H26 Fe N2 O16 S2
• SMILES: c1cc(cc[nH+]1)c1cc[nH+]cc1.O=S(=O)([O-])[O-].[Fe]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.[O-]S(=O)(=O)[O-].O
• Title of publication: 4,4'-Bipyridinium(2+) hexaaquairon(II) disulfate dihydrate
• Authors of publication: Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1639 - m1640
• a: 17.543 ± 0.001 Å
• b: 9.0676 ± 0.0006 Å
• c: 13.7592 ± 0.0009 Å
• α: 90°
• β: 96.67 ± 0.001°
• γ: 90°
• Cell volume: 2173.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes