Information card for entry 4501859

Structure parameters

• Formula: C2 H8 Fe O7 P S
• Calculated formula: C2 H6 Fe O7 P S
• Title of publication: Layered Iron(III) and Cobalt(II) Phosphonates Decorated by Hydrophilic Sulfone Groups: Syntheses, Structures and Magnetic Properties
• Authors of publication: Du, Zi-Yi; Wen, He-Rui; Liu, Cai-Ming; Sun, Yu-Hui; Lu, Ying-Bing; Xie, Yong-Rong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 3721
• a: 11.935 ± 0.007 Å
• b: 7.395 ± 0.004 Å
• c: 9.756 ± 0.006 Å
• α: 90°
• β: 111.845 ± 0.007°
• γ: 90°
• Cell volume: 799.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No