Information card for entry 4307391

Structure parameters

• Formula: C6 H12 Cl2 Fe N O4
• Calculated formula: C6 H12 Cl2 Fe N O4
• Title of publication: Synthesis, Structure, and Magnetic Properties of (A)[FeIII(oxalate)Cl2] (A = Alkyl Ammonium Cations) with Anionic 1D [FeIII(oxalate)Cl2]- Chains
• Authors of publication: Hong-Bin Xu; Zhe-Ming Wang; Tao Liu; Song Gao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3089 - 3096
• a: 7.9441 ± 0.0003 Å
• b: 8.6093 ± 0.0003 Å
• c: 17.8251 ± 0.0007 Å
• α: 90°
• β: 91.869 ± 0.002°
• γ: 90°
• Cell volume: 1218.47 ± 0.08 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: 0.0881
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No