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Information card for entry 4088274
Preview
| Coordinates | 4088274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H35 Cl5 Ir N2 O6 P2 |
|---|---|
| Calculated formula | C45.043 H35 Cl5.129 Ir N2 O6 P2 |
| 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 | 11.816 ± 0.005 Å |
| b | 18.301 ± 0.005 Å |
| c | 21.148 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 99.083 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 4516 ± 3 Å3 |
| Cell temperature | 99 ± 2 K |
| Ambient diffraction temperature | 99 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0468 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0784 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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. |
4088274.cif |
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Users of the data should acknowledge the original authors of the
structural data.