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Information card for entry 1574413
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| Coordinates | 1574413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (SIMes)BH2S(CN3PPhCF3) |
|---|---|
| Chemical name | 3-PhCF3 |
| Formula | C41 H44 B F3 N5 P S |
| Calculated formula | C41 H44 B F3 N5 P S |
| Title of publication | Synthesis and Reactivity of a Parent Phosphathioethynolatoborane and a Boraarsaketene |
| Authors of publication | Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 19.026 ± 0.0002 Å |
| b | 24.2587 ± 0.0001 Å |
| c | 9.7105 ± 0.0001 Å |
| α | 90° |
| β | 121.337 ± 0.001° |
| γ | 90° |
| Cell volume | 3828.05 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.1019 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Diffraction radiation X-ray symbol | K-L~2,3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299281 (current) | 2025-04-12 | cif/ Adding structures of 1574408, 1574409, 1574410, 1574411, 1574412, 1574413, 1574414 via cif-deposit CGI script. |
1574413.cif |
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Users of the data should acknowledge the original authors of the
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