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Information card for entry 4348477
Preview
| Coordinates | 4348477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H21 N Se2 |
|---|---|
| Calculated formula | C17 H21 N Se2 |
| SMILES | [Se](c1c(N(C)c2ccc(cc2[Se]C)C)ccc(c1)C)C |
| Title of publication | A Selenium-Containing Diarylamido Pincer Ligand: Synthesis and Coordination Chemistry with Group 10 Metals. |
| Authors of publication | Charette, Bronte J.; Ritch, Jamie S. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 12 |
| Pages of publication | 6344 - 6350 |
| a | 14.5262 ± 0.001 Å |
| b | 8.1591 ± 0.0006 Å |
| c | 14.4769 ± 0.001 Å |
| α | 90° |
| β | 100.438 ± 0.004° |
| γ | 90° |
| Cell volume | 1687.4 ± 0.2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294.64 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0727 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4348477.cif |
| 232983 | 2019-11-23 | cif/ Adding structures of 4348477, 4348478, 4348479, 4348480 via cif-deposit CGI script. |
4348477.cif |
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Users of the data should acknowledge the original authors of the
structural data.