Information card for entry 2206697

Structure parameters

• Chemical name: catena-Poly[piperazinium(2+) [ferrate(III)-μ-hydroxo-κ^2^O:O- di-μ-sulfato-κ^4^O:O'] monohydrate]
• Formula: C4 H15 Fe N2 O10 S2
• Calculated formula: C4 H15 Fe N2 O10 S2
• SMILES: [Fe]12(OS(=O)(=O)[O-])(OS(=O)(=O)[O-])(O)OS(=O)(=O)O[Fe](OS(=O)(=O)O1)[OH]2.O.[NH2+]1CC[NH2+]CC1.O.[NH2+]1CC[NH2+]CC1
• Title of publication: <i>catena</i>-Poly[piperazinium(2+) [ferrate(III)-μ-hydroxo-κ^2^<i>O</i>:<i>O</i>-di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'] monohydrate]
• 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: 9
• Pages of publication: m1831 - m1833
• a: 9.257 ± 0.0006 Å
• b: 18.318 ± 0.001 Å
• c: 7.1562 ± 0.0004 Å
• α: 90°
• β: 98.094 ± 0.001°
• γ: 90°
• Cell volume: 1201.39 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes