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Information card for entry 7160203
Preview
| Coordinates | 7160203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H44 N4 |
|---|---|
| Calculated formula | C58 H44 N4 |
| Title of publication | 1,1-Diaminoazine based Pd(II) NNN Pincer Complex: Generation, Characterization, and Application in Catalyzing the Acceptorless Dehydrogenative Coupling |
| Authors of publication | Wani, Aabid; Bhujbal, Shivkanya Madhavrao; Sherpa, Deekey; Kathuria, Deepika; Chourasiya, Sumit S.; Sahoo, Subash Chandra; Bharatam, Prasad V. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| a | 9.5849 ± 0.0005 Å |
| b | 17.057 ± 0.0007 Å |
| c | 26.146 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4274.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1614 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.916 |
| 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 |
|---|---|---|---|
| 295740 (current) | 2024-11-04 | cif/ Adding structures of 7160203 via cif-deposit CGI script. |
7160203.cif |
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Users of the data should acknowledge the original authors of the
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