Information card for entry 2102031

Structure parameters

• Formula: C4 H12 Cd Cl3 N
• Calculated formula: C12 Cd Cl3 N
• Title of publication: X-ray diffraction study of the phase transitions of (CH~3~)~4~NCdCl~3~ between 293 and 80K: a quantitative analysis of the ferroelastic domains distribution below 118K
• Authors of publication: Peral, I.; Madariaga, G.; Perez-Etxebarria, A.; Breczewski, T.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 215 - 225
• a: 9.126 ± 0.005 Å
• b: 9.126 ± 0.005 Å
• c: 6.718 ± 0.002 Å
• α: 90 ± 0.009°
• β: 90 ± 0.009°
• γ: 120 ± 0.01°
• Cell volume: 484.5 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.031
• Goodness-of-fit parameter for all reflections: 0.665
• Goodness-of-fit parameter for significantly intense reflections: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No