Information card for entry 7226056

Structure parameters

• Formula: C16 H32 Br4 Cd N2
• Calculated formula: C16 H32 Br4 Cd N2
• SMILES: Br[Cd](Br)([Br-])[Br-].C1CCC[N+]21CCCC2.C1CCC[N+]21CCCC2
• 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: 9.99 ± 0.02 Å
• b: 17.24 ± 0.04 Å
• c: 15.09 ± 0.03 Å
• α: 90°
• β: 90.57 ± 0.06°
• γ: 90°
• Cell volume: 2599 ± 9 ų
• Cell temperature: 365 ± 2 K
• Ambient diffraction temperature: 365 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.5385
• Residual factor for significantly intense reflections: 0.301
• Weighted residual factors for significantly intense reflections: 0.5747
• Weighted residual factors for all reflections included in the refinement: 0.6737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.394
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No