Information card for entry 4349741

Structure parameters

• Common name: N-methylpyrrolidinium cadmium trichloride
• Formula: C5 H12 Cd Cl3 N
• Calculated formula: C5 H12 Cd Cl3 N
• Title of publication: [C5H12N]CdCl3: an ABX3 perovskite-type semiconducting switchable dielectric phase transition material
• Authors of publication: Zeb, Aurang; Sun, Zhihua; Khan, Tariq; Asghar, Muhammad Adnan; Wu, Zhenyue; Li, Lina; Ji, Chengmin; Luo, Junhua
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 1485
• a: 14.8934 ± 0.001 Å
• b: 6.7188 ± 0.0003 Å
• c: 9.9423 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 994.88 ± 0.09 ų
• Cell temperature: 280 ± 2 K
• Ambient diffraction temperature: 280 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No