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Information card for entry 4516732
Preview
| Coordinates | 4516732.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23.5 H20 Cl2 N5 O2 Ru |
|---|---|
| Calculated formula | C23.5 H20 Cl2 N5 O2 Ru |
| Title of publication | Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects |
| Authors of publication | Ono, Takashi; Qu, Shuanglin; Gimbert-Suriñach, Carolina; Johnson, Michelle A.; Marell, Daniel J.; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | 5932 |
| a | 9.0731 ± 0.0006 Å |
| b | 10.4974 ± 0.0008 Å |
| c | 12.7753 ± 0.001 Å |
| α | 98.387 ± 0.003° |
| β | 102.017 ± 0.003° |
| γ | 101.29 ± 0.003° |
| Cell volume | 1144.77 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0608 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1541 |
| Weighted residual factors for all reflections included in the refinement | 0.1589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239494 (current) | 2019-11-24 | cif/ Adding structures of 4516732, 4516733 via cif-deposit CGI script. |
4516732.cif |
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