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Information card for entry 4070130
Preview
| Coordinates | 4070130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ir(dfppz)2(ptp) |
|---|---|
| Formula | C28 H17 F4 Ir N4 S |
| Calculated formula | C28 H17 F4 Ir N4 S |
| SMILES | [Ir]123([s]4cccc4c4ccccc14)([n]1n(ccc1)c1c(F)cc(F)cc21)[n]1n(ccc1)c1c(F)cc(F)cc31 |
| Title of publication | Synthesis, Characterization, and Physical Properties of Cyclometalated Iridium(III) Complexes with 2-Phenylthiophene or 2-Phenylfuran Ligands |
| Authors of publication | Ren, Xiaofan; Giesen, David J.; Rajeswaran, Manju; Madaras, Marcel |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 20 |
| Pages of publication | 6079 |
| a | 22.0091 ± 0.0003 Å |
| b | 12.8946 ± 0.0002 Å |
| c | 17.8381 ± 0.0002 Å |
| α | 90° |
| β | 103.161 ± 0.001° |
| γ | 90° |
| Cell volume | 4929.46 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1366 |
| Residual factor for significantly intense reflections | 0.075 |
| Weighted residual factors for significantly intense reflections | 0.1643 |
| Weighted residual factors for all reflections included in the refinement | 0.194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178590 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/01. |
4070130.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070130.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070130.cif |
| 40607 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070130, 4070131 via cif-deposit CGI script. |
4070130.cif |
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Users of the data should acknowledge the original authors of the
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