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Information card for entry 3000278
Preview
No preview available: structure is on hold until 2021-08-08
Coordinates | Coordinates are not available: structure is on hold until 2021-08-08 |
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Chemical name | 4,7-diiodo-2-methylbenzothiazole |
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Formula | C8 H5 I2 N S |
Authors of publication | Erik Rakovský; Hrobárik, Peter |
Journal of publication | To be published |
a | 13.169 ± 0.0006 Å |
b | 4.2536 ± 0.0003 Å |
c | 19.0445 ± 0.0009 Å |
α | 90° |
β | 102.592 ± 0.004° |
γ | 90° |
Cell volume | 1041.13 ± 0.1 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 K |
Number of distinct elements | 5 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0375 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0742 |
Weighted residual factors for all reflections included in the refinement | 0.0804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.56083 Å |
Diffraction radiation type | AgKα |
Has coordinates | No |
Has disorder | No |
Has Fobs | No |
Version history
Not available for prepublication material.
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Users of the data should acknowledge the original authors of the
structural data.