Information card for entry 4332905

Structure parameters

• Formula: C4 H18 Fe2 N2 O17 S3
• Calculated formula: C4 H18 Fe2 N2 O17 S3
• 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: 20.0048 ± 0.0013 Å
• b: 7.2039 ± 0.0005 Å
• c: 12.2673 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1767.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No