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Information card for entry 7710099
Preview
| Coordinates | 7710099.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H12 F2 N2 |
|---|---|
| Calculated formula | C19 H12 F2 N2 |
| SMILES | C1(=C(C1(F)F)c1ccccc1)c1cnc(cc1)c1ncccc1 |
| Title of publication | M-CPOnes: transition metal complexes with cyclopropenone-based ligands for light-triggered carbon monoxide release |
| Authors of publication | Lehr, Marc; Neumann, Tjorge; Näther, Christian; McConnell, Anna J. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 6.919 ± 0.0001 Å |
| b | 8.1308 ± 0.0001 Å |
| c | 13.4122 ± 0.0002 Å |
| α | 82.284 ± 0.001° |
| β | 84.268 ± 0.001° |
| γ | 77.219 ± 0.001° |
| Cell volume | 727.248 ± 0.018 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| 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 |
|---|---|---|---|
| 274628 (current) | 2022-04-22 | cif/ Adding structures of 7710099 via cif-deposit CGI script. |
7710099.cif |
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Users of the data should acknowledge the original authors of the
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