Information card for entry 4129570

Structure parameters

• Formula: C4 H8 Cl3 Mn N
• Calculated formula: C4 H7 Cl3 Mn N
• Title of publication: High-Temperature Ferroelectricity and Photoluminescence in a Hybrid Organic-Inorganic Compound: (3-Pyrrolinium)MnCl3.
• Authors of publication: Ye, Heng-Yun; Zhou, QiongHua; Niu, XiangHong; Liao, Wei-Qiang; Fu, Da-Wei; Zhang, Yi; You, Yu-Meng; Wang, Jinlan; Chen, Zhong-Ning; Xiong, Ren-Gen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 40
• Pages of publication: 13148 - 13154
• a: 7.47 ± 0.005 Å
• b: 17.642 ± 0.003 Å
• c: 6.515 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 858.6 ± 0.6 ų
• Cell temperature: 413 ± 2 K
• Ambient diffraction temperature: 413 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No