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Information card for entry 7033391
Preview
| Coordinates | 7033391.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51 H42.5 F6 Ir N4 O4.25 P S2 |
|---|---|
| Calculated formula | C51 H42.5 F6 Ir N4 O4.25 P S2 |
| Title of publication | Cationic, luminescent cyclometalated iridium(iii) complexes based on substituted 2-phenylthiazole ligands. |
| Authors of publication | Stokes, Emily C.; Langdon-Jones, Emily E; Groves, Lara M.; Platts, James A.; Horton, Peter N.; Fallis, Ian A.; Coles, Simon J.; Pope, Simon J. A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 18 |
| Pages of publication | 8488 - 8496 |
| a | 16.3828 ± 0.0011 Å |
| b | 16.9146 ± 0.0011 Å |
| c | 18.4938 ± 0.0013 Å |
| α | 87.307 ± 0.005° |
| β | 74.66 ± 0.005° |
| γ | 77.226 ± 0.005° |
| Cell volume | 4819.5 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1322 |
| Residual factor for significantly intense reflections | 0.0646 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1316 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7033391.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7033391.cif |
| 138578 | 2015-06-07 | cif/ Updating files of 7033391 Original log message: Adding full bibliography for 7033391.cif. |
7033391.cif |
| 128534 | 2014-12-12 | cif/ Adding structures of 7033391 via cif-deposit CGI script. |
7033391.cif |
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Users of the data should acknowledge the original authors of the
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