Information card for entry 4126952

Structure parameters

• Formula: C4 H12 Cl4 Fe N
• Calculated formula: C4 H12 Cl4 Fe N
• SMILES: C[N+](C)(C)C.Cl[Fe](Cl)(Cl)[Cl-]
• Title of publication: Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.
• Authors of publication: Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 6.4415 ± 0.0015 Å
• b: 13.071 ± 0.003 Å
• c: 14.001 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1178.8 ± 0.5 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No