Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2108857
Preview
| Coordinates | 2108857.cif |
|---|---|
| Structure factors | 2108857.hkl |
| Original IUCr paper | HTML |
| Common name | potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate |
|---|---|
| Chemical name | potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate |
| Formula | C10 H12 K2 N10 O4 |
| Calculated formula | C10 H12 K2 N10 O4 |
| Title of publication | A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O |
| Authors of publication | Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 5 |
| a | 36.522 ± 0.003 Å |
| b | 3.82815 ± 0.00013 Å |
| c | 28.639 ± 0.002 Å |
| α | 90° |
| β | 129.573 ± 0.012° |
| γ | 90° |
| Cell volume | 3086.4 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 0.14 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.0853 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.913 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269238 (current) | 2021-09-22 | cif/ hkl/ Adding structures of 2108857, 2108858, 2108859, 2108860, 2108861, 2108862, 2108863, 2108864, 2108865, 2108866, 2108867, 2108868, 2108869, 2108870 via cif-deposit CGI script. |
2108857.cif 2108857.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.