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Information card for entry 7112336
Preview
| Coordinates | 7112336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H90 Cl4 N4 O3 Pt2 |
|---|---|
| Calculated formula | C82 H90 Cl4 N4 O3 Pt2 |
| SMILES | c12c3c(cccc3)O[Pt]45[n]2c(cc(c1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1c5c(cc(c1)C(C)(C)C)c1[n]4cccc1.O.C(Cl)Cl |
| Title of publication | Robust phosphorescent platinum(II) complexes with tetradentate O^N^C^N ligands: high efficiency OLEDs with excellent efficiency stability |
| Authors of publication | Kui, Steven C. F.; Chow, Pui Keong; Cheng, Gang; Kwok, Chi-Chung; Kwong, Chun Lam; Low, Kam-Hung; Che, Chi-Ming |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 15 |
| Pages of publication | 1497 - 1499 |
| a | 31.5586 ± 0.0014 Å |
| b | 16.6386 ± 0.0008 Å |
| c | 13.6571 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7171.2 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1395 |
| Weighted residual factors for all reflections included in the refinement | 0.1433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Duplicate of | 7108844 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210829 (current) | 2018-09-11 | cif/7/ Updating bibliography in entries 7108844-7108845, 7112336-7112337. Marking entries 7112336-7112337 as duplicates of entries 7108844-7108845. |
7112336.cif |
| 180237 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/23. |
7112336.cif |
| 110025 | 2014-04-18 | cif/ Adding structures of 7112336, 7112337 via cif-deposit CGI script. |
7112336.cif |
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