Information card for entry 7234758

Structure parameters

• Formula: C12 H28 B6 F24 N4 Na2
• Calculated formula: C9.1 B3 F12 Na
• Title of publication: (H2dabco)[Na(BF4)3]: an ABX3-type inorganic-organic hybrid perovskite compound with dielectric switching above room-temperature
• Authors of publication: Ye, Le; Gong, Zhi-Xin; Shi, Chao; Ma, Jia-Jun; Liang, Hao; Qi, Fangwei; E, Dian-yu; Wang, Chang-Feng; Zhang, Yi; Ye, Heng-Yun
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 7.1593 ± 0.0013 Å
• b: 7.1593 ± 0.0013 Å
• c: 7.1593 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 366.95 ± 0.12 ų
• Cell temperature: 408 ± 2 K
• Ambient diffraction temperature: 408 ± 2 K
• Number of distinct elements: 6
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.2858
• Residual factor for significantly intense reflections: 0.2329
• Weighted residual factors for significantly intense reflections: 0.6364
• Weighted residual factors for all reflections included in the refinement: 0.6589
• Goodness-of-fit parameter for all reflections included in the refinement: 2.567
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No