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Information card for entry 7241087
Preview
| Coordinates | 7241087.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H36 Ir2 N8 Na2 O23 S4 |
|---|---|
| Calculated formula | C44 H36 Ir2 N8 Na2 O23 S4 |
| Title of publication | Efficient transfer hydrogenation of carbonate salts from glycerol using water-soluble iridium N-heterocyclic carbene catalysts |
| Authors of publication | Ainembabazi, Diana; Wang, Kai; Finn, Matthew; Ridenour, James; Voutchkova-Kostal, Adelina |
| Journal of publication | Green Chemistry |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 18 |
| Pages of publication | 6093 - 6104 |
| a | 10.3801 ± 0.0006 Å |
| b | 12.7791 ± 0.0007 Å |
| c | 22.1745 ± 0.0012 Å |
| α | 92.814 ± 0.002° |
| β | 92.689 ± 0.002° |
| γ | 104.376 ± 0.002° |
| Cell volume | 2840.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.079 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1176 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257621 (current) | 2020-10-06 | cif/ Updating files of 7241087 Original log message: Adding full bibliography for 7241087.cif. |
7241087.cif |
| 255508 | 2020-08-21 | cif/ Adding structures of 7241087 via cif-deposit CGI script. |
7241087.cif |
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Users of the data should acknowledge the original authors of the
structural data.