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Information card for entry 4088288
Preview
| Coordinates | 4088288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H52 B F24 Ir N3 O P |
|---|---|
| Calculated formula | C62 H52 B F24 Ir N3 O P |
| Title of publication | Synthesis, NMR, and X-ray Studies of Iridium Dihydride C,N and N,P Ligand Complexes |
| Authors of publication | Gruber, Stefan |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 5 |
| Pages of publication | 699 |
| a | 19.19 ± 0.0013 Å |
| b | 17.4078 ± 0.0013 Å |
| c | 19.1973 ± 0.0014 Å |
| α | 90° |
| β | 97.878 ± 0.004° |
| γ | 90° |
| Cell volume | 6352.4 ± 0.8 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0783 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for all reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.0488 |
| Weighted residual factors for all reflections included in the refinement | 0.0447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1246 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4088288.cif |
| 237441 | 2019-11-24 | cif/ Adding structures of 4088285, 4088286, 4088287, 4088288 via cif-deposit CGI script. |
4088288.cif |
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Users of the data should acknowledge the original authors of the
structural data.