Information card for entry 7713338

Structure parameters

• Formula: C10 Cd I4 N2
• Calculated formula: C10 Cd I4 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: 14.196 ± 0.007 Å
• b: 9.791 ± 0.005 Å
• c: 17.224 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2394 ± 2 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No