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Information card for entry 7229745
Preview
Coordinates | 7229745.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H11 B Br F4 N |
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Calculated formula | C4 H11 B Br F4 N |
Title of publication | High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4] |
Authors of publication | Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 4 |
Pages of publication | 454 |
a | 6.149 ± 0.018 Å |
b | 8.012 ± 0.002 Å |
c | 9.507 ± 0.003 Å |
α | 90° |
β | 101.19 ± 0.02° |
γ | 90° |
Cell volume | 459.5 ± 1.4 Å3 |
Cell temperature | 368 ± 2 K |
Ambient diffraction temperature | 368 ± 2 K |
Number of distinct elements | 6 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.3247 |
Residual factor for significantly intense reflections | 0.2759 |
Weighted residual factors for significantly intense reflections | 0.5531 |
Weighted residual factors for all reflections included in the refinement | 0.5892 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7229745.html
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structural data.