Information card for entry 4332903

Structure parameters

• Formula: C2 H13 Fe N2 O10 S2
• Calculated formula: C2 H13 Fe N2 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: 6.9445 ± 0.0008 Å
• b: 10.2823 ± 0.0011 Å
• c: 15.1234 ± 0.0016 Å
• α: 90°
• β: 90.932 ± 0.002°
• γ: 90°
• Cell volume: 1079.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No