Information card for entry 7234405

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: 7.196 ± 0.0002 Å
• b: 17.075 ± 0.004 Å
• c: 6.6494 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 817 ± 0.2 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No