Information card for entry 4332904

Structure parameters

• Formula: C3 H11 Fe N O10 S2
• Calculated formula: C3 H11 Fe N O10 S2
• Title of publication: Organically Directed Iron Sulfate Chains: Structural Diversity Based on Hydrogen Bonding Interactions
• Authors of publication: Fu, Yunlong; Xu, Zhiwei; Ren, Jialin; Wu, Haishun; Yuan, Rong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8452 - 8458
• a: 5.6835 ± 0.0008 Å
• b: 9.1834 ± 0.0013 Å
• c: 10.3786 ± 0.0015 Å
• α: 86.839 ± 0.003°
• β: 82.395 ± 0.002°
• γ: 87.214 ± 0.003°
• Cell volume: 535.65 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No