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Information card for entry 4088270
Preview
| Coordinates | 4088270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H37 Cl3 F3 Ir N O8 P2 S |
|---|---|
| Calculated formula | C47 H37 Cl2.946 F3 Ir N O8 P2 S |
| Title of publication | Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution |
| Authors of publication | Frogley, Benjamin J.; Dalebrook, Andrew F.; Wright, L. James |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 3 |
| Pages of publication | 400 |
| a | 11.0544 ± 0.0001 Å |
| b | 16.6389 ± 0.0001 Å |
| c | 25.8602 ± 0.0001 Å |
| α | 90° |
| β | 90.44 ± 0.001° |
| γ | 90° |
| Cell volume | 4756.41 ± 0.05 Å3 |
| Cell temperature | 92 ± 2 K |
| Ambient diffraction temperature | 92 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0379 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0678 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237431 (current) | 2019-11-24 | cif/ Adding structures of 4088270, 4088271, 4088272, 4088273, 4088274, 4088275 via cif-deposit CGI script. |
4088270.cif |
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Users of the data should acknowledge the original authors of the
structural data.