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Information card for entry 4518861
Preview
| Coordinates | 4518861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H54 K Mn N O5.5 P2 |
|---|---|
| Calculated formula | C32 H54 K Mn N O5.5 P2 |
| Title of publication | Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst |
| Authors of publication | Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 13 |
| Pages of publication | 8358 - 8369 |
| a | 14.762 ± 0.008 Å |
| b | 15.414 ± 0.008 Å |
| c | 19.157 ± 0.01 Å |
| α | 104.574 ± 0.019° |
| β | 100.59 ± 0.02° |
| γ | 113.484 ± 0.016° |
| Cell volume | 3666 ± 3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.1445 |
| Residual factor for significantly intense reflections | 0.0838 |
| Weighted residual factors for significantly intense reflections | 0.1926 |
| Weighted residual factors for all reflections included in the refinement | 0.2324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266942 (current) | 2021-07-03 | cif/ Adding structures of 4518859, 4518860, 4518861, 4518862 via cif-deposit CGI script. |
4518861.cif |
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Users of the data should acknowledge the original authors of the
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