Information card for entry 4349742

Structure parameters

• Common name: N-methylpyrrolidinium cadmium trichloride [NMPCC]
• 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: 6.6875 ± 0.0004 Å
• b: 10.0809 ± 0.0005 Å
• c: 14.5347 ± 0.001 Å
• α: 90°
• β: 92.298 ± 0.005°
• γ: 90°
• Cell volume: 979.08 ± 0.1 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• 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: 0.1053
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2612
• Weighted residual factors for all reflections included in the refinement: 0.268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No