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Information card for entry 7240089
Preview
| Coordinates | 7240089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H28 Cl2 F12 N6 P2 Ru |
|---|---|
| Calculated formula | C36 H28 Cl2 F12 N6 P2 Ru |
| SMILES | [Ru]123([n]4ccccc4c4[n]1c(ccc4)c1[n]2cccc1)([n]1c(ccc2c1cccc2)c1[n]3c2c(cc1)cccc2)[N]#CC.ClCCl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst |
| Authors of publication | Dong, Wenjin; Tang, Jie; Zhao, Lijun; Chen, Fushan; Deng, Li; Xian, Mo |
| Journal of publication | Green Chemistry |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 7 |
| Pages of publication | 2279 - 2287 |
| a | 12.8944 ± 0.0011 Å |
| b | 12.8937 ± 0.0011 Å |
| c | 12.963 ± 0.0012 Å |
| α | 82.985 ± 0.002° |
| β | 66.987 ± 0.001° |
| γ | 88.659 ± 0.002° |
| Cell volume | 1968.1 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1263 |
| Residual factor for significantly intense reflections | 0.098 |
| Weighted residual factors for significantly intense reflections | 0.2296 |
| Weighted residual factors for all reflections included in the refinement | 0.2467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240089.cif |
| 257614 | 2020-10-06 | cif/ Updating files of 7240089, 7240090, 7240091 Original log message: Adding full bibliography for 7240089--7240091.cif. |
7240089.cif |
| 251674 | 2020-05-05 | cif/ Updating files of 7240089, 7240090, 7240091 Original log message: Adding full bibliography for 7240089--7240091.cif. |
7240089.cif |
| 249173 | 2020-03-07 | cif/ Adding structures of 7240089, 7240090, 7240091 via cif-deposit CGI script. |
7240089.cif |
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