Information card for entry 7713334

Structure parameters

• Formula: C12 Cd I4 N2
• Calculated formula: C12 Cd I3.9996 N2
• Title of publication: Methyl Regulation Triggers High-Temperature Ferroelastic Phase Transition
• Authors of publication: Zhang, Si-Yue; Zhang, Zhi-Cheng; Zhang, Tie; Ni, Hao-Fei; Zhang, Zhixu; Fu, Da-Wei; Lu, Hai-Feng
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.8936 ± 0.001 Å
• b: 13.8936 ± 0.001 Å
• c: 13.8936 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2681.9 ± 0.3 ų
• Cell temperature: 392.98 ± 0.11 K
• Ambient diffraction temperature: 392.98 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.253
• Residual factor for significantly intense reflections: 0.1815
• Weighted residual factors for significantly intense reflections: 0.2956
• Weighted residual factors for all reflections included in the refinement: 0.3318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No