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Information card for entry 4517232
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| Coordinates | 4517232.cif |
|---|---|
| Structure factors | 4517232.hkl |
| Original paper (by DOI) | HTML |
| Common name | phosphangulene oxyde : phosphangulene sulfide 0.71:0.29 |
|---|---|
| Formula | C18 H9 O3.71 P S0.29 |
| Calculated formula | C18 H9 O3.7085 P S0.2915 |
| Title of publication | Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides |
| Authors of publication | Alice Heskia; Thierry Maris; James D. Wuest |
| Journal of publication | Cryst. Growth & Design |
| Year of publication | 2019 |
| Journal volume | 19 |
| Pages of publication | 5390 - 5406 |
| a | 10.1281 ± 0.0008 Å |
| b | 25.426 ± 0.002 Å |
| c | 10.6714 ± 0.0008 Å |
| α | 90° |
| β | 93.978 ± 0.004° |
| γ | 90° |
| Cell volume | 2741.4 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.165 |
| Weighted residual factors for all reflections included in the refinement | 0.1694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245440 (current) | 2019-12-20 | cif/ hkl/ Adding structures of 4517232 via cif-deposit CGI script. |
4517232.cif 4517232.hkl |
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