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Information card for entry 4126775
Preview
| Coordinates | 4126775.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H48 B N5 P Ru |
|---|---|
| Calculated formula | C49 H48 B N5 P Ru |
| Title of publication | Correction to "Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation". |
| Authors of publication | Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 18.234 ± 0.0013 Å |
| b | 12.0654 ± 0.0002 Å |
| c | 18.1135 ± 0.0013 Å |
| α | 90° |
| β | 90.69 ± 0.006° |
| γ | 90° |
| Cell volume | 3984.7 ± 0.4 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203727 (current) | 2017-11-29 | cif/ Adding structures of 4126775 via cif-deposit CGI script. |
4126775.cif |
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Users of the data should acknowledge the original authors of the
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