Information card for entry 4105063

Structure parameters

• Common name: Dimethylammoniumironformate
• Formula: C15 H27 Fe3 N2.97 O18
• Calculated formula: C15 H27 Fe3 N2.97 O18
• Title of publication: Multiferroic Behavior Associated with an Order-Disorder Hydrogen Bonding Transition in Metal-Organic Frameworks (MOFs) with the Perovskite ABX3 Architecture
• Authors of publication: Prashant Jain; Vasanth Ramachandran; Ronald J. Clark; Hai Dong Zhou; Brian H. Toby; Naresh S. Dalal; Harold W. Kroto; Anthony K. Cheetham
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 13625 - 13627
• a: 8.241 ± 0.002 Å
• b: 8.241 Å
• c: 22.545 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1326 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No