Information card for entry 7050654

Structure parameters

• Formula: C7 H5 Fe N O5
• Calculated formula: C7 H5 Fe N O5
• Title of publication: Crystal structure and magnetic properties of a new three-dimensional coordination polymer constructed from (4,4) layers based on dimeric iron(ii) subunits
• Authors of publication: Zeng, Ming-Hua; Gao, Song; Yu, Xiao-Lan; Chen, Xiao-Ming
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 1599
• a: 8.791 ± 0.008 Å
• b: 10.577 ± 0.006 Å
• c: 8.663 ± 0.006 Å
• α: 90°
• β: 95.63 ± 0.01°
• γ: 90°
• Cell volume: 801.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0944
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No