Information card for entry 4123540

Structure parameters

• Formula: C4 H10 Cl3 Mn N
• Calculated formula: C4 H10 Cl3 Mn N
• Title of publication: Highly Efficient Red-Light Emission in An Organic-Inorganic Hybrid Ferroelectrics: (Pyrrolidinium)MnCl3.
• Authors of publication: Zhang, Yi; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Chen, Zhong-Ning; Xiong, Ren-Gen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150327131753005
• a: 7.69 ± 0.009 Å
• b: 17.32 ± 0.02 Å
• c: 6.498 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 865.5 ± 1.7 ų
• Cell temperature: 313 ± 2 K
• Ambient diffraction temperature: 313 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No