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Information card for entry 2022789
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| Coordinates | 2022789.cif |
|---|---|
| Structure factors | 2022789.hkl |
| Original IUCr paper | HTML |
| Common name | Bis(caffeinium) hexachloridoplatinum(IV) |
|---|---|
| Chemical name | Bis(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-9-ium) hexachloridoplatinum(IV) |
| Formula | C16 H22 Cl6 N8 O4 Pt |
| Calculated formula | C16 H22 Cl6 N8 O4 Pt |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of bis(caffeinium) hexachloridoplatinum(IV) in comparison with some related compounds |
| Authors of publication | Zagidullin, Karim A.; Novikov, Anton P.; Zelenina, Daria A.; Grigoriev, Mikhail S.; German, Konstantin E. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 7 |
| a | 7.88 ± 0.0002 Å |
| b | 8.1542 ± 0.0002 Å |
| c | 10.5374 ± 0.0003 Å |
| α | 95.784 ± 0.002° |
| β | 91.525 ± 0.002° |
| γ | 112.472 ± 0.001° |
| Cell volume | 620.92 ± 0.03 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0229 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0412 |
| Weighted residual factors for all reflections included in the refinement | 0.0414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284693 (current) | 2023-06-29 | cif/ hkl/ Adding structures of 2022789 via cif-deposit CGI script. |
2022789.cif 2022789.hkl |
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Users of the data should acknowledge the original authors of the
structural data.