Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2243275
Preview
| Coordinates | 2243275.cif |
|---|---|
| Structure factors | 2243275.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[(μ~3~-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)] |
|---|---|
| Formula | C3 H3 N4 O3 Tl |
| Calculated formula | C3 H2 N4 O3 Tl |
| Title of publication | Crystal structure of poly[(μ~3~-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)] |
| Authors of publication | Safyanova, Inna S.; Bondar, Oksana A.; Pavlishchuk, Anna V.; Omelchenko, Iryna V.; Iskenderov, Turganbay S.; Kalibabchuk, Valentina A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 3 |
| Pages of publication | 328 - 331 |
| a | 10.0731 ± 0.0004 Å |
| b | 3.74576 ± 0.00018 Å |
| c | 16.9805 ± 0.0006 Å |
| α | 90° |
| β | 95.808 ± 0.004° |
| γ | 90° |
| Cell volume | 637.41 ± 0.05 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0501 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248068 (current) | 2020-02-12 | cif/ hkl/ Adding structures of 2243275 via cif-deposit CGI script. |
2243275.cif 2243275.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.