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Information card for entry 7224153
Preview
Coordinates | 7224153.cif |
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Original paper (by DOI) | HTML |
Formula | C5 H13 Cl N6 S2 |
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Calculated formula | C5 H13 Cl N6 S2 |
SMILES | C(=S)(N)N.C(=S)(N)N.c1[nH]cc[nH+]1.[Cl-] |
Title of publication | Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride |
Authors of publication | Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 11 |
Pages of publication | 1958 |
a | 14.674 ± 0.009 Å |
b | 9.779 ± 0.006 Å |
c | 8.412 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1207.1 ± 1.3 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0806 |
Weighted residual factors for all reflections included in the refinement | 0.0822 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
181610 (current) | 2016-04-05 | cif/ Updating files of 7224152, 7224153, 7224154 Original log message: Adding full bibliography for 7224152--7224154.cif. |
7224153.cif |
176235 | 2016-02-06 | cif/ Adding structures of 7224152, 7224153, 7224154 via cif-deposit CGI script. |
7224153.cif |
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