Information card for entry 7064362

Structure parameters

• Formula: C18 H36 Cl0.33 I6.67 N3 Pt
• Calculated formula: C22.08 Cl0.56 I6.44 Pt
• Title of publication: A Hybrid Metal-Halide Antiperovskite Semiconductor Ferroelectric
• Authors of publication: Zhou, Wen; Shi, Chao; Xu, Liang; Wang, Ze-Jie; Wang, Na; Liao, Rong-Meng; An, Zhen; Heng-Yun, Ye; Miao, Le-Ping
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 9.3753 ± 0.0005 Å
• b: 9.3753 ± 0.0005 Å
• c: 9.3753 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 824.05 ± 0.08 ų
• Cell temperature: 473 ± 2 K
• Ambient diffraction temperature: 473 ± 2 K
• Number of distinct elements: 6
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No