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Information card for entry 7045340
Preview
| Coordinates | 7045340.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 | 24.6611 ± 0.0012 Å |
| b | 13.3724 ± 0.0006 Å |
| c | 15.014 ± 0.0007 Å |
| α | 90° |
| β | 94.6047 ± 0.0015° |
| γ | 90° |
| Cell volume | 4935.3 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0276 |
| Residual factor for significantly intense reflections | 0.02 |
| Weighted residual factors for significantly intense reflections | 0.0404 |
| Weighted residual factors for all reflections included in the refinement | 0.0424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
7045340.cif |
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Users of the data should acknowledge the original authors of the
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