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Information card for entry 2312665
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| Coordinates | 2312665.cif |
|---|---|
| Structure factors | 2312665.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 H2 K2 N10 O4 |
| Calculated formula | C10 H2 K2 N10 O4 |
| Title of publication | Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate. |
| Authors of publication | Gaydamaka, A. A.; Rashchenko, S. V. |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| Pages of publication | 676 - 681 |
| a | 34.434 ± 0.006 Å |
| b | 3.41097 ± 0.0001 Å |
| c | 28.253 ± 0.009 Å |
| α | 90° |
| β | 126.49 ± 0.04° |
| γ | 90° |
| Cell volume | 2667.9 ± 1.7 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.2868 |
| Residual factor for significantly intense reflections | 0.2119 |
| Weighted residual factors for significantly intense reflections | 0.3762 |
| Weighted residual factors for all reflections included in the refinement | 0.3914 |
| Goodness-of-fit parameter for significantly intense reflections | 7.9005 |
| Goodness-of-fit parameter for all reflections included in the refinement | 6.1716 |
| 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 |
|---|---|---|---|
| 296753 (current) | 2024-12-07 | cif/ Updating files of 2312665 Original log message: Adding full bibliography for 2312665.cif. |
2312665.cif 2312665.hkl |
| 295501 | 2024-10-16 | cif/ hkl/ Adding structures of 2312665 via cif-deposit CGI script. |
2312665.cif 2312665.hkl |
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Users of the data should acknowledge the original authors of the
structural data.