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Information card for entry 7122786
Preview
| Coordinates | 7122786.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H46 F3 Ir O3 P2 S |
|---|---|
| Calculated formula | C39 H46 F3 Ir O3 P2 S |
| Title of publication | Conversion of Methane to Ethylene Using an Ir Complex and Phosphorus Ylide as a Methylene Transfer Reagent |
| Authors of publication | Zatsepin, Pavel; Ahn, Seihwan; Pudasaini, Bimal; Gau, Michael; Baik, Mu-Hyun; Mindiola, Daniel J. |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 10.6431 ± 0.0004 Å |
| b | 18.1825 ± 0.0007 Å |
| c | 19.2066 ± 0.0008 Å |
| α | 87.071 ± 0.002° |
| β | 79.14 ± 0.002° |
| γ | 84.124 ± 0.002° |
| Cell volume | 3629.2 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0741 |
| Weighted residual factors for all reflections included in the refinement | 0.0808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212903 (current) | 2019-01-11 | cif/ Adding structures of 7122785, 7122786 via cif-deposit CGI script. |
7122786.cif |
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Users of the data should acknowledge the original authors of the
structural data.