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Information card for entry 4132204
Preview
| Coordinates | 4132204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H27.5 Cl2.5 Ir N5 O2 S2 |
|---|---|
| Calculated formula | C36 H27.5 Cl2.5 Ir N5 O2 S2 |
| Title of publication | Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides. |
| Authors of publication | Na, Hanah; Teets, Thomas S. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 20 |
| Pages of publication | 6353 - 6360 |
| a | 23.9379 ± 0.001 Å |
| b | 11.9202 ± 0.0005 Å |
| c | 15.6551 ± 0.0012 Å |
| α | 90° |
| β | 130.05° |
| γ | 90° |
| Cell volume | 3419.5 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.021 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for significantly intense reflections | 0.0407 |
| Weighted residual factors for all reflections included in the refinement | 0.0413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.923 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242228 (current) | 2019-11-26 | cif/ Adding structures of 4132201, 4132202, 4132203, 4132204 via cif-deposit CGI script. |
4132204.cif |
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Users of the data should acknowledge the original authors of the
structural data.