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Information card for entry 7718539
Preview
| Coordinates | 7718539.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H31 B N4 S |
|---|---|
| Calculated formula | C28 H31 B N4 S |
| Title of publication | CO and CS bond activation by an annulated 1,4,2-diazaborole. |
| Authors of publication | Pattathil, Vignesh; Pranckevicius, Conor |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2025 |
| Journal volume | 54 |
| Journal issue | 20 |
| Pages of publication | 8169 - 8173 |
| a | 9.4822 ± 0.0004 Å |
| b | 11.9253 ± 0.0005 Å |
| c | 12.6868 ± 0.0005 Å |
| α | 62.253 ± 0.001° |
| β | 75.281 ± 0.001° |
| γ | 83.121 ± 0.001° |
| Cell volume | 1227.97 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0833 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300856 (current) | 2025-07-06 | cif/ Updating files of 7718537, 7718538, 7718539, 7718540, 7718541, 7718542, 7718543 Original log message: Adding full bibliography for 7718537--7718543.cif. |
7718539.cif |
| 299322 | 2025-04-18 | cif/ Adding structures of 7718537, 7718538, 7718539, 7718540, 7718541, 7718542, 7718543 via cif-deposit CGI script. |
7718539.cif |
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Users of the data should acknowledge the original authors of the
structural data.