Information card for entry 4127490

Structure parameters

• Formula: C4 H9 Cl3 F Mn N
• Calculated formula: C4 H9 Cl3 F Mn N
• Title of publication: Fluorine Substitution Induced High T_c of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl₃.
• Authors of publication: Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 10
• Pages of publication: 4474 - 4479
• a: 7.6808 ± 0.0006 Å
• b: 17.7492 ± 0.0014 Å
• c: 6.4998 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 886.11 ± 0.12 ų
• Cell temperature: 363 ± 2 K
• Ambient diffraction temperature: 363 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No