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Information card for entry 7238214
Preview
Coordinates | 7238214.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H9 N3 O2 S2 |
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Calculated formula | C9 H9 N3 O2 S2 |
Title of publication | Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole |
Authors of publication | McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 10 |
Pages of publication | 3119 |
a | 8.2241 ± 0.0004 Å |
b | 8.5725 ± 0.0004 Å |
c | 15.5081 ± 0.0007 Å |
α | 90° |
β | 93.794 ± 0.004° |
γ | 90° |
Cell volume | 1090.94 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0377 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.0874 |
Weighted residual factors for all reflections included in the refinement | 0.092 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.887 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
244090 (current) | 2019-11-28 | cif/ Adding structures of 7238213, 7238214, 7238215, 7238216, 7238217 via cif-deposit CGI script. |
7238214.cif |
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Users of the data should acknowledge the original authors of the
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