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Information card for entry 7062796
Preview
| Coordinates | 7062796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H45 N3 O2 P2 Ru S |
|---|---|
| Calculated formula | C58 H45 N3 O2 P2 Ru S |
| Title of publication | Ruthenium(II) CNN Pincer Complexes as Efficient Catalysts in Oxidative Annulation of Aromatic Acids with Alkynes to Isocoumarins |
| Authors of publication | Gayathri, Sekar; Kalaipriya, Ramajayam; Viswanathamurthi, Periasamy; Raju, Saravanan; Hrobarik, Peter |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2023 |
| a | 13.4503 ± 0.0004 Å |
| b | 18.6694 ± 0.0006 Å |
| c | 19.4636 ± 0.0006 Å |
| α | 76.772 ± 0.001° |
| β | 79.345 ± 0.001° |
| γ | 87.352 ± 0.001° |
| Cell volume | 4675.7 ± 0.3 Å3 |
| Cell temperature | 396 ± 2 K |
| Ambient diffraction temperature | 396 ± 2 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 | 0.0703 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0897 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286950 (current) | 2023-10-13 | cif/ Adding structures of 7062796, 7062797, 7062798 via cif-deposit CGI script. |
7062796.cif |
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Users of the data should acknowledge the original authors of the
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