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Information card for entry 4125758
Preview
| Coordinates | 4125758.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52.25 H52 N2 O P2 Ru |
|---|---|
| Calculated formula | C52.25 H52 N2 O P2 Ru |
| Title of publication | Electrocatalytic Alcohol Oxidation with Ruthenium Transfer Hydrogenation Catalysts. |
| Authors of publication | Waldie, Kate M.; Flajslik, Kristen R.; McLoughlin, Elizabeth; Chidsey, Christopher E. D.; Waymouth, Robert M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 2 |
| Pages of publication | 738 - 748 |
| a | 10.9808 ± 0.0006 Å |
| b | 14.8133 ± 0.0008 Å |
| c | 28.4694 ± 0.0015 Å |
| α | 90° |
| β | 97.311 ± 0.001° |
| γ | 90° |
| Cell volume | 4593.2 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.0816 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.138 |
| Weighted residual factors for all reflections included in the refinement | 0.1561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193134 (current) | 2017-03-04 | cif/ Adding structures of 4125758 via cif-deposit CGI script. |
4125758.cif |
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