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Information card for entry 7246044
Preview
| Coordinates | 7246044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H10 N P S2 |
|---|---|
| Calculated formula | C15 H10 N P S2 |
| Title of publication | Luminescent 1<i>H</i>-1,3-benzazaphospholes. |
| Authors of publication | Evariste, Sloane; Harrison, Alexandra M.; Sarkar, Sunandan; Rheingold, Arnold L.; Dunietz, Barry D.; Heinicke, Joachim W.; Delgado Rosario, Emalyn; Yoon, Sungwoon; Teets, Thomas S.; Protasiewicz, John D. |
| Journal of publication | RSC advances |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 1 |
| Pages of publication | 594 - 601 |
| a | 8.1771 ± 0.0004 Å |
| b | 5.7977 ± 0.0003 Å |
| c | 13.7003 ± 0.0007 Å |
| α | 90° |
| β | 90.684 ± 0.004° |
| γ | 90° |
| Cell volume | 649.46 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0442 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281613 (current) | 2023-03-04 | cif/ Updating files of 7246044 Original log message: Adding full bibliography for 7246044.cif. |
7246044.cif |
| 280017 | 2022-12-23 | cif/ Adding structures of 7246044 via cif-deposit CGI script. |
7246044.cif |
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Users of the data should acknowledge the original authors of the
structural data.