Information card for entry 7707059

Structure parameters

• Formula: C11 H17 Cd F N4 S3
• Calculated formula: C11 H17 Cd F N4 S3
• Title of publication: A-site cation with high vibrational motion in ABX₃ perovskite effectively induces dielectric phase transition.
• Authors of publication: Wang, Yu-Zhen; Zhang, Zhi-Xu; Su, Chang-Yuan; Zhang, Tie; Fu, Da-Wei; Zhang, Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 3841 - 3847
• a: 14.9579 ± 0.0013 Å
• b: 10.8069 ± 0.0007 Å
• c: 20.2117 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3267.2 ± 0.5 ų
• Cell temperature: 283 ± 2 K
• Ambient diffraction temperature: 283 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No