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Information card for entry 7049244
Preview
| Coordinates | 7049244.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62.5 H51 Cl F6 Ir N6 P |
|---|---|
| Calculated formula | C62.5 H51 Cl F6 Ir N6 P |
| Title of publication | Conjugated, rigidified bibenzimidazole ancillary ligands for enhanced photoluminescence quantum yields of orange/red-emitting iridium(iii) complexes. |
| Authors of publication | Henwood, Adam F.; Antón-García, Daniel; Morin, Mégane; Rota Martir, Diego; Cordes, David B.; Casey, Colin; Slawin, Alexandra M. Z.; Lebl, Tomas; Bühl, Michael; Zysman-Colman, Eli |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 26 |
| Pages of publication | 9639 - 9653 |
| a | 12.3645 ± 0.0011 Å |
| b | 14.9064 ± 0.0013 Å |
| c | 20.2905 ± 0.0016 Å |
| α | 101.234 ± 0.0015° |
| β | 103.196 ± 0.0015° |
| γ | 107.553 ± 0.0014° |
| Cell volume | 3328.5 ± 0.5 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0415 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.1024 |
| Weighted residual factors for all reflections included in the refinement | 0.1068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7049244.cif |
| 224070 | 2019-11-07 | cif/ Updating files of 7049242, 7049243, 7049244, 7049245, 7049246, 7049247 Original log message: Adding full bibliography for 7049242--7049247.cif. |
7049244.cif |
| 214034 | 2019-03-07 | cif/ Adding structures of 7049242, 7049243, 7049244, 7049245, 7049246, 7049247 via cif-deposit CGI script. |
7049244.cif |
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Users of the data should acknowledge the original authors of the
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