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Information card for entry 7231663
Preview
Coordinates | 7231663.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C7 H14 Cl N O5 |
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Calculated formula | C9.6 Cl O3.9996 |
Title of publication | [C7H14NO][ClO4]: order‒disorder structural change induced sudden switchable dielectric behaviour at room temperature |
Authors of publication | Fan, Guang-Meng; Gao, Ji-Xing; Shi, Chao; Yu, Hui; Ye, Le; Jiang, Jia-Ying; Shuai, Cijun; Zhang, Yi; Ye, Heng-Yun |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 44 |
Pages of publication | 7058 |
a | 6.4782 ± 0.0008 Å |
b | 6.4782 ± 0.0008 Å |
c | 6.4782 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 271.87 ± 0.06 Å3 |
Cell temperature | 353 ± 2 K |
Ambient diffraction temperature | 353 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1864 |
Residual factor for significantly intense reflections | 0.1552 |
Weighted residual factors for significantly intense reflections | 0.3544 |
Weighted residual factors for all reflections included in the refinement | 0.3987 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.258 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7231663.html
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structural data.