Information card for entry 7236779

Structure parameters

• Formula: C4 H9 Cl3 Mn N2 O
• Calculated formula: C4 H9 Cl3 Mn N2 O
• Title of publication: Red-light emission and dielectric reversible duple opto-electronic switches in a hybrid multifunctional material: (2-methylimidazolium)MnCl3(H2O)
• Authors of publication: Guo, Qiang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 22
• Pages of publication: 5458
• a: 8.989 ± 0.0018 Å
• b: 14.612 ± 0.003 Å
• c: 7.2748 ± 0.0015 Å
• α: 90°
• β: 93.86 ± 0.03°
• γ: 90°
• Cell volume: 953.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.3399
• Weighted residual factors for all reflections included in the refinement: 0.3455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No