Information card for entry 7226054

Structure parameters

• Formula: C16 H32 Br4 Cd N2
• Calculated formula: C16 H32 Br4 Cd N2
• SMILES: [N+]12(CCCC1)CCCC2.[Cd](Br)(Br)([Br-])[Br-].[N+]12(CCCC1)CCCC2
• Title of publication: A spiro-type ammonium based switchable dielectric material with two sequential reversible phase transitions above room temperature
• Authors of publication: Wang, Xiao-Li; Zhou, Lin; Ye, Qiong; Geng, Fu-Juan; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.2978 ± 0.0019 Å
• b: 18.028 ± 0.004 Å
• c: 14.049 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2354.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1835
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No