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Information card for entry 1558258
Preview
| Coordinates | 1558258.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H55 Cl2 O5 P3 Ru |
|---|---|
| Calculated formula | C52 H55 Cl2 O5 P3 Ru |
| Title of publication | Ruthenium-catalyzed Hydrogenation of CO2 as a Route to Methyl Esters for use as Biofuels or fine Chemicals |
| Authors of publication | Wang, Zheng; Zhao, Ziwei; Li, Yong; Zhong, Yanxia; Zhang, Qiuyue; Liu, Qingbin; Solan, Gregory; Ma, Yanping; Sun, Wen Hua |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 19.968 ± 0.004 Å |
| b | 12.863 ± 0.003 Å |
| c | 19.229 ± 0.004 Å |
| α | 90° |
| β | 105.75 ± 0.03° |
| γ | 90° |
| Cell volume | 4753.5 ± 1.9 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0397 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252962 (current) | 2020-06-06 | cif/ Adding structures of 1558257, 1558258 via cif-deposit CGI script. |
1558258.cif |
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