Information card for entry 4002725

Structure parameters

• Formula: C4 H10 Fe N2 O6
• Calculated formula: C4.0002 H10.0008 Fe N2.0001 O6
• Title of publication: Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks
• Authors of publication: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 2264
• a: 8.1338 ± 0.0003 Å
• b: 8.1338 ± 0.0003 Å
• c: 22.6559 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1298.07 ± 0.08 ų
• Cell temperature: 330 ± 1 K
• Ambient diffraction temperature: 330 ± 1 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: 0.0244
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No