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Information card for entry 4518440
Preview
| Coordinates | 4518440.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H51 Cl4 N3 O3 Ru S |
|---|---|
| Calculated formula | C43 H52 Cl4 N3 O3 Ru S |
| Title of publication | Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts |
| Authors of publication | Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 1977 - 1987 |
| a | 13.3662 ± 0.0008 Å |
| b | 19.3514 ± 0.0012 Å |
| c | 18.2778 ± 0.0011 Å |
| α | 90° |
| β | 107.451 ± 0.002° |
| γ | 90° |
| Cell volume | 4510 ± 0.5 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.076 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1743 |
| Weighted residual factors for all reflections included in the refinement | 0.1901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.354 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262439 (current) | 2021-03-04 | cif/ Updating files of 4518430, 4518431, 4518432, 4518433, 4518434, 4518435, 4518436, 4518437, 4518438, 4518439, 4518440, 4518441, 4518442, 4518443, 4518444 Original log message: Adding full bibliography for 4518430--4518444.cif. |
4518440.cif |
| 261351 | 2021-02-02 | cif/ Adding structures of 4518440 via cif-deposit CGI script. |
4518440.cif |
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Users of the data should acknowledge the original authors of the
structural data.