Information card for entry 2205220

Structure parameters

• Chemical name: catena-Poly[hexamethylenediaminium [ferrate(III)-μ-hydroxo-κ^2^O:O-di-μ-sulfato-κ^4^O:O'] monohydrate]
• Formula: C6 H21 Fe N2 O10 S2
• Calculated formula: C6 H21 Fe N2 O10 S2
• SMILES: [Fe]12(OS(=O)(=O)O[Fe](OS(=O)(=O)O1)[OH]2)(OS(=O)(=O)[O-])(OS(=O)(=O)[O-])O.O.[NH3+]CCCCCC[NH3+].O.[NH3+]CCCCCC[NH3+]
• Title of publication: <i>catena</i>-Poly[hexamethylenediaminium [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: 3
• Pages of publication: m596 - m597
• a: 8.7918 ± 0.0007 Å
• b: 6.9963 ± 0.0005 Å
• c: 25.032 ± 0.001 Å
• α: 90°
• β: 90.289 ± 0.002°
• γ: 90°
• Cell volume: 1539.7 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes