Information card for entry 7135861

Structure parameters

• Formula: C19 H31 Fe3 N2 O18
• Calculated formula: C19 H31 Fe3 N2 O18
• Title of publication: Organic Ammonium Flexibility Modulated Phase-Transition Behaviour in 3D Perovskite-like Mixed-valence Iron Complexes
• Authors of publication: Ma, Chang-Lei; Li, Chang; Sun, Jia-Yue; Han, Rui-Rui; Liu, Fuchen; Zhao, Jiong-Peng; Yao, Zhao Quan
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 15.2085 ± 0.0009 Å
• b: 15.2085 ± 0.0009 Å
• c: 6.0484 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1398.99 ± 0.18 ų
• Cell temperature: 400.3 ± 0.3 K
• Ambient diffraction temperature: 400.15 K
• Number of distinct elements: 5
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No