Information card for entry 7218520

Structure parameters

• Chemical name: Iron oxalate dihydrate
• Formula: C2 H4 Fe O6
• Calculated formula: C2 H4 Fe O6
• Title of publication: Intrinsic and Extrinsic Proton Conductivity in Metal-Organic Frameworks
• Authors of publication: Tominaka, Satoshi; Cheetham, Tony
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 12.209 ± 0.004 Å
• b: 5.5526 ± 0.0007 Å
• c: 9.865 ± 0.003 Å
• α: 90°
• β: 128.2 ± 0.06°
• γ: 90°
• Cell volume: 525.6 ± 0.5 ų
• Cell temperature: 297.2 ± 0.14 K
• Ambient diffraction temperature: 297.2 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.2578
• Weighted residual factors for all reflections included in the refinement: 0.2684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No