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Information card for entry 7215075
Preview
Coordinates | 7215075.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H12 I2 N4 S2 Zn |
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Calculated formula | C8 H12 I2 N4 S2 Zn |
SMILES | [Zn](I)(I)([S]=C1NC=CN1C)[S]=C1NC=CN1C |
Title of publication | Reactivity of the drug methimazole and its iodine adduct with elemental zinc |
Authors of publication | Isaia, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Garau, Alessandra; Jones, Peter G.; Lippolis, Vito; Montis, Riccardo |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 17 |
Pages of publication | 3613 |
a | 10.7697 ± 0.0011 Å |
b | 10.158 ± 0.0008 Å |
c | 29.054 ± 0.003 Å |
α | 90° |
β | 91.111 ± 0.004° |
γ | 90° |
Cell volume | 3177.9 ± 0.5 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0234 |
Residual factor for significantly intense reflections | 0.0181 |
Weighted residual factors for significantly intense reflections | 0.0395 |
Weighted residual factors for all reflections included in the refinement | 0.0412 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
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/7215075.html
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Users of the data should acknowledge the original authors of the
structural data.