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Information card for entry 4309329
Preview
| Coordinates | 4309329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H35 Ir N2 O2 |
|---|---|
| Calculated formula | C45 H35 Ir N2 O2 |
| SMILES | [Ir]123(OC(=CC(=[O]1)C)C)([n]1c(cc(c4ccccc14)C)c1c2ccc2c1cccc2)[n]1c(cc(c2ccccc12)C)c1c3ccc2c1cccc2 |
| Title of publication | Efficient Red-Emitting Cyclometalated Iridium(III) Complexes Containing Lepidine-Based Ligands |
| Authors of publication | K. R. Justin Thomas; Marappan Velusamy; Jiann T. Lin; Chin-Hsiung Chien; Yu-Tai Tao; Yuh S. Wen; Ya-Hui Hu; Pi-Tai Chou |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 5677 - 5685 |
| a | 8.3799 ± 0.0002 Å |
| b | 15.7137 ± 0.0004 Å |
| c | 26.0632 ± 0.0007 Å |
| α | 90° |
| β | 93.295 ± 0.001° |
| γ | 90° |
| Cell volume | 3426.31 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1441 |
| Weighted residual factors for all reflections included in the refinement | 0.1729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.306 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179131 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/93. |
4309329.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309329.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309329.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309329.cif |
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