Information card for entry 4003448

Structure parameters

• Formula: C10 H18 Cd N4 S3
• Calculated formula: C10 Cd N4 S3
• Title of publication: One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution
• Authors of publication: He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• a: 9.3596 ± 0.0005 Å
• b: 9.3596 ± 0.0005 Å
• c: 10.7347 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 814.4 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.2106
• Residual factor for significantly intense reflections: 0.2043
• Weighted residual factors for significantly intense reflections: 0.3446
• Weighted residual factors for all reflections included in the refinement: 0.3481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No