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Information card for entry 7712519
Preview
| Coordinates | 7712519.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H8 N2 O |
|---|---|
| Calculated formula | C9 H8 N2 O |
| SMILES | c12ccccc1nc(c(=O)[nH]2)C |
| Title of publication | Cyclometalated Platinum(II) Complexes with Acyclic Diaminocarbene Ligands for OLED Application |
| Authors of publication | Katkova, Svetlana; Kozina, Daria O.; Kisel, Kristina S.; Sandzhieva, Maria A.; Tarvanen, Dmitriy; Makarov, Sergey; Porsev, Vitaly Veniaminovich; Tunik, Sergey P.; Kinzhalov, Mikhail A. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 3.971 ± 0.006 Å |
| b | 11.238 ± 0.004 Å |
| c | 16.947 ± 0.007 Å |
| α | 90° |
| β | 91.24 ± 0.07° |
| γ | 90° |
| Cell volume | 756.1 ± 1.2 Å3 |
| Cell temperature | 120 ± 1 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 significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.1673 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281298 (current) | 2023-03-04 | cif/ Adding structures of 7712517, 7712518, 7712519, 7712520, 7712521, 7712522, 7712523 via cif-deposit CGI script. |
7712519.cif |
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Users of the data should acknowledge the original authors of the
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