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Information card for entry 3500071
Preview
| Coordinates | 3500071.cif |
|---|---|
| Structure factors | 3500071.hkl |
| Formula | C7 H3 N3 |
|---|---|
| Calculated formula | C7 H3 N3 |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2017 |
| a | 7.4485 ± 0.0006 Å |
| b | 6.1845 ± 0.0005 Å |
| c | 13.4791 ± 0.0013 Å |
| α | 90° |
| β | 95.757 ± 0.003° |
| γ | 90° |
| Cell volume | 617.79 ± 0.09 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1375 |
| Weighted residual factors for all reflections included in the refinement | 0.1412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197527 (current) | 2017-06-05 | cif/ hkl/ Adding structures of 3500071 via cif-deposit CGI script. |
3500071.cif 3500071.hkl |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.