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Information card for entry 4348954
Preview
| Coordinates | 4348954.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H42 F3 N3 O4 Pt S |
|---|---|
| Calculated formula | C41 H42 F3 N3 O4 Pt S |
| SMILES | [Pt]12(n3c4c(cc(cc4c4c3c(cc(c4)C)C=[N]2c2c(cc(cc2C)C)C)C)C=[N]1c1c(cc(cc1C)C)C)[OH2].S(=O)(=O)([O-])C(F)(F)F.c1ccccc1 |
| Title of publication | Cyclometallation of the NNN pincer ligand in complexes of platinum |
| Authors of publication | DeMott, Jessica C.; Dekarske, John R.; McCulloch, Billy J.; Ozerov, Oleg V. |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 10 |
| Pages of publication | 912 |
| a | 12.8 ± 0.007 Å |
| b | 19.274 ± 0.01 Å |
| c | 15.618 ± 0.008 Å |
| α | 90° |
| β | 97.622 ± 0.009° |
| γ | 90° |
| Cell volume | 3819 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1039 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1368 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| 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. |
4348954.cif |
| 233507 | 2019-11-23 | cif/ Adding structures of 4348953, 4348954, 4348955 via cif-deposit CGI script. |
4348954.cif |
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Users of the data should acknowledge the original authors of the
structural data.