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Information card for entry 7045341
Preview
| Coordinates | 7045341.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H38 F8 Ir2 N6 O4 |
|---|---|
| Calculated formula | C60 H38 F8 Ir2 N6 O4 |
| Title of publication | Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π‒π stacking |
| Authors of publication | Congrave, Daniel G.; Hsu, Yu-Ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2018 |
| a | 11.7982 ± 0.0005 Å |
| b | 23.4916 ± 0.001 Å |
| c | 19.1919 ± 0.0008 Å |
| α | 90° |
| β | 101.136 ± 0.0014° |
| γ | 90° |
| Cell volume | 5219 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| 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 | 0.0629 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0594 |
| Weighted residual factors for all reflections included in the refinement | 0.0661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205481 (current) | 2018-01-23 | cif/ Adding structures of 7045336, 7045337, 7045338, 7045339, 7045340, 7045341, 7045342 via cif-deposit CGI script. |
7045341.cif |
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Users of the data should acknowledge the original authors of the
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