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Information card for entry 4346571
Preview
| Coordinates | 4346571.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H44 Cl F3 N6 O3 Pd S |
|---|---|
| Calculated formula | C48 H44 Cl F3 N6 O3 Pd S |
| Title of publication | Polyannulated Bis(N-heterocyclic carbene)palladium Pincer Complexes for Electrocatalytic CO2 Reduction. |
| Authors of publication | Therrien, Jeffrey A.; Wolf, Michael O.; Patrick, Brian O. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 24 |
| Pages of publication | 11721 - 11732 |
| a | 27.8478 ± 0.0013 Å |
| b | 9.861 ± 0.0005 Å |
| c | 20.2588 ± 0.001 Å |
| α | 90° |
| β | 130.012 ± 0.0016° |
| γ | 90° |
| Cell volume | 4260.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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 |
|---|---|---|---|
| 231852 (current) | 2019-11-23 | cif/ Adding structures of 4346571 via cif-deposit CGI script. |
4346571.cif |
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Users of the data should acknowledge the original authors of the
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