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Information card for entry 4116323
Preview
| Coordinates | 4116323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H51 Ir O P2 |
|---|---|
| Calculated formula | C58.5 H43 Ir O P2 |
| Title of publication | Direct Synthesis of an Iridabenzene from a Nucleophilic 3-Vinyl-1-cyclopropene |
| Authors of publication | Robert D. Gilbertson; Timothy J. R. Weakley; Michael M. Haley |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 2597 - 2598 |
| a | 10.417 ± 0.002 Å |
| b | 13.436 ± 0.0016 Å |
| c | 19.23 ± 0.005 Å |
| α | 107.841 ± 0.017° |
| β | 101.989 ± 0.02° |
| γ | 93.318 ± 0.016° |
| Cell volume | 2484.7 ± 0.9 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.066 |
| Goodness-of-fit parameter for all reflections | 3.01 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.17 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4116323.cif |
| 70935 | 2013-01-12 | cif/ Adding structures of 4116323 via cif-deposit CGI script. |
4116323.cif |
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Users of the data should acknowledge the original authors of the
structural data.