Information card for entry 4129569

Structure parameters

• Formula: C4 H8 Cl3 Mn N
• Calculated formula: C4 H8 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: 7.361 ± 0.005 Å
• b: 17.49 ± 0.011 Å
• c: 6.466 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 832.5 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No