Information card for entry 7234406

Structure parameters

• Formula: C3 H4 Cd Cl3 N S
• Calculated formula: C3 H4 Cd Cl3 N S
• Title of publication: Structural phase transitions coupled with prominent dielectric anomalies and dielectric relaxation in a one-dimensional organic-inorganic hybrid compound [C3H4NS][CdCl3]
• Authors of publication: Guang-Quan Mei; Wei-Qiang Liao
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 8535 - 8541
• a: 17.083 ± 0.004 Å
• b: 7.1446 ± 0.0003 Å
• c: 6.6374 ± 0.0003 Å
• α: 90°
• β: 90.232 ± 0.002°
• γ: 90°
• Cell volume: 810.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1305
• 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: No
• Has Fobs: No