Information card for entry 7134986

Structure parameters

• Formula: C12 H23 Fe3 N2 O19
• Calculated formula: C12.0006 H23.0028 Fe3 N2.0004 O19.0002
• Title of publication: Organic ammonium modulated mixed-valence multiferroics exhibiting large spontaneous strain and exchange bias.
• Authors of publication: Yan, Qin-Yuan; Han, Song-De; Xu, Ting; Ji, Cui-Xian; Lv, Lin-Lin; Yao, Zhao-Quan; Zhao, Jiong-Peng; Liu, Fu-Chen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 84
• Pages of publication: 16412 - 16415
• a: 8.2548 ± 0.0006 Å
• b: 8.2548 ± 0.0006 Å
• c: 63.391 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3740.9 ± 0.5 ų
• Cell temperature: 403 ± 0.1 K
• Ambient diffraction temperature: 403 ± 0.1 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: 0.0458
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No