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Information card for entry 7043933
Preview
| Coordinates | 7043933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41.5 H30 Cl F9 Ir N3 |
|---|---|
| Calculated formula | C41.5 H30 Cl F9 Ir N3 |
| Title of publication | Room temperature transmetallation from tris(pentafluorophenyl)borane to cyclometallated iridium(III) |
| Authors of publication | Maity, Ayan; Kölsch, Jonas; Na, Hanah; Teets, Thomas S. |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 18.168 ± 0.004 Å |
| b | 10.156 ± 0.002 Å |
| c | 20.551 ± 0.005 Å |
| α | 90° |
| β | 94.693 ± 0.003° |
| γ | 90° |
| Cell volume | 3779.2 ± 1.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 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 | 0.0321 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199656 (current) | 2017-08-09 | cif/ Adding structures of 7043933, 7043934, 7043935 via cif-deposit CGI script. |
7043933.cif |
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Users of the data should acknowledge the original authors of the
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