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Information card for entry 4130609
Preview
| Coordinates | 4130609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H44 N O2 P2 Rh |
|---|---|
| Calculated formula | C24 H44 N O2 P2 Rh |
| Title of publication | Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex. |
| Authors of publication | Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 31 |
| Pages of publication | 9941 - 9950 |
| a | 10.3758 ± 0.0003 Å |
| b | 13.2372 ± 0.0004 Å |
| c | 19.6596 ± 0.0005 Å |
| α | 90° |
| β | 101.896 ± 0.003° |
| γ | 90° |
| Cell volume | 2642.19 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0589 |
| Weighted residual factors for all reflections included in the refinement | 0.0608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4130609.cif |
| 241010 | 2019-11-25 | cif/ Adding structures of 4130609, 4130610, 4130611, 4130612 via cif-deposit CGI script. |
4130609.cif |
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Users of the data should acknowledge the original authors of the
structural data.