Information card for entry 4304831

Structure parameters

• Formula: C5 H12 Cl2 Fe N O5
• Calculated formula: C5 H12 Cl2 Fe N O5
• Title of publication: New Extended Magnetic Systems Based on Oxalate and Iron(III) Ions
• Authors of publication: Donatella Armentano; Teresa F. Mastropietro; Giovanni De Munno; Patrizia Rossi; Francesc Lloret; Miguel Julve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3772 - 3786
• a: 8.1335 ± 0.0016 Å
• b: 8.5877 ± 0.0017 Å
• c: 17.729 ± 0.004 Å
• α: 90°
• β: 91.18 ± 0.03°
• γ: 90°
• Cell volume: 1238.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No