Information card for entry 7234757

Structure parameters

• Formula: C6 H14 B3 F12 N2 Na
• Calculated formula: C6 H14 B3 F12 N2 Na
• SMILES: [B](F)(F)(F)[F-].[Na+].C1C[NH+]2CC[NH+]1CC2.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 13.9925 ± 0.0002 Å
• b: 13.9925 ± 0.0002 Å
• c: 13.9925 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2739.59 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No