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Information card for entry 7134755
Preview
| Coordinates | 7134755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 N2 S |
|---|---|
| Calculated formula | C16 H16 N2 S |
| Title of publication | A non-innocent, π-extended N-Heterobicyclic Carbene-thiolate ligand |
| Authors of publication | Marquardt, Michael; Vendier, Laure; Saquet, Alix; Maurel, Vincent; Mouesca, Jean-Marie; BASTIN, Stéphanie; Castillo, Ivan; Cesar, Vincent |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 7.9502 ± 0.00003 Å |
| b | 15.00228 ± 0.00008 Å |
| c | 22.48379 ± 0.00011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2681.67 ± 0.02 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0332 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for all reflections | 0.09 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9847 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300162 (current) | 2025-06-24 | cif/ Adding structures of 7134755, 7134756, 7134757 via cif-deposit CGI script. |
7134755.cif |
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Users of the data should acknowledge the original authors of the
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