Information card for entry 7713337

Structure parameters

• Formula: C12 H32 Cd I4 N2
• Calculated formula: C12 H32 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: 14.3623 ± 0.0006 Å
• b: 9.9781 ± 0.0006 Å
• c: 17.5752 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2518.7 ± 0.2 ų
• Cell temperature: 272.94 ± 0.1 K
• Ambient diffraction temperature: 272.94 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0888
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2348
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No