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Information card for entry 4514930
Preview
| Coordinates | 4514930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Grubbs catalyst |
|---|---|
| Chemical name | Benzylidene-bis(tricyclohexylphosphino)-dichlororuthenium |
| Formula | C172 H288 Cl8 P8 Ru4 |
| Calculated formula | C172 H288 Cl8 P8 Ru4 |
| Title of publication | Characterization of Reactive Organometallic Species via MicroED. |
| Authors of publication | Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M. |
| Journal of publication | ACS central science |
| Year of publication | 2019 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | 1507 - 1513 |
| a | 9.68 ± 0.002 Å |
| b | 25.65 ± 0.005 Å |
| c | 16.08 ± 0.003 Å |
| α | 90 ± 0.03° |
| β | 92.63 ± 0.03° |
| γ | 90 ± 0.03° |
| Cell volume | 3988.3 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1882 |
| Residual factor for significantly intense reflections | 0.1595 |
| Weighted residual factors for significantly intense reflections | 0.3788 |
| Weighted residual factors for all reflections included in the refinement | 0.3997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.803 |
| Diffraction radiation wavelength | 0.01969 Å |
| Diffraction radiation type | 300KeVelectrons |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220092 (current) | 2019-10-28 | cif/ Adding structures of 4514930 via cif-deposit CGI script. |
4514930.cif |
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Users of the data should acknowledge the original authors of the
structural data.