Information card for entry 2206438

Structure parameters

• Chemical name: catena-Poly[[bis(ethane-1,2-diaminium) [ferrate(III)-μ-hydroxo-κ^2^O:O-di-μ-sulfato-κ^4^O:O']] sulfate monohydrate]
• Formula: C4 H23 Fe N4 O14 S3
• Calculated formula: C4 H23 Fe N4 O14 S3
• SMILES: [Fe]12(OS(=O)(=O)O[Fe](OS(=O)(=O)O1)[OH]2)(OS(=O)(=O)[O-])(OS(=O)(=O)[O-])O.S(=O)(=O)([O-])[O-].O.[NH3+]CC[NH3+].[NH3+]CC[NH3+].S(=O)(=O)([O-])[O-].O.[NH3+]CC[NH3+].[NH3+]CC[NH3+]
• Title of publication: <i>catena</i>-Poly[[bis(ethane-1,2-diaminium) [ferrate(III)-μ-hydroxo-κ^2^<i>O</i>:<i>O</i>-di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>']] sulfate 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: 8
• Pages of publication: m1478 - m1480
• a: 7.1352 ± 0.0004 Å
• b: 8.7869 ± 0.0005 Å
• c: 13.186 ± 0.0007 Å
• α: 88.659 ± 0.001°
• β: 85.782 ± 0.001°
• γ: 88.145 ± 0.001°
• Cell volume: 823.86 ± 0.08 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: 0.032
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes