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Information card for entry 7133130
Preview
| Coordinates | 7133130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | fac-tricarbonyl-dibromo-(1-(1-iminoethyl)-3,5-dimethylpyrazole-N,N')-tungsten(II) chloroform solvate |
|---|---|
| Formula | C11 H12 Br2 Cl3 N3 O3 W |
| Calculated formula | C11 H12 Br2 Cl3 N3 O3 W |
| Title of publication | Vinyl-pyrazole as a biomimetic acetaldehyde surrogate. |
| Authors of publication | Steiner, Lorenz; Ćorović, Miljan Z; Dupé, Antoine; Mösch-Zanetti, Nadia C |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 54 |
| Pages of publication | 6873 - 6876 |
| a | 9.2942 ± 0.0002 Å |
| b | 10.3885 ± 0.0002 Å |
| c | 11.1039 ± 0.0002 Å |
| α | 63.402 ± 0.002° |
| β | 75.498 ± 0.001° |
| γ | 79.694 ± 0.001° |
| Cell volume | 925.34 ± 0.04 Å3 |
| Cell temperature | 99.97 ± 0.18 K |
| Ambient diffraction temperature | 99.97 ± 0.18 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0267 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for significantly intense reflections | 0.0444 |
| Weighted residual factors for all reflections included in the refinement | 0.0452 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292834 (current) | 2024-07-05 | cif/ Updating files of 7133129, 7133130, 7133131, 7133132 Original log message: Adding full bibliography for 7133129--7133132.cif. |
7133130.cif |
| 292177 | 2024-06-05 | cif/ Adding structures of 7133129, 7133130, 7133131, 7133132 via cif-deposit CGI script. |
7133130.cif |
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Users of the data should acknowledge the original authors of the
structural data.