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Information card for entry 4084386
Preview
| Coordinates | 4084386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C85 H75 O P S2 W |
|---|---|
| Calculated formula | C85 H75 O P S2 W |
| SMILES | O=[W](=CC(C)(C)C)([P](C)(C)c1ccccc1)(Sc1c(c(cc(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)Sc1c(c(cc(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Synthesis of Molybdenum and Tungsten Alkylidene Complexes That Contain Sterically Demanding Arenethiolate Ligands. |
| Authors of publication | Townsend, Erik M.; Hyvl, Jakub; Forrest, William P.; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 19 |
| Pages of publication | 5334 - 5341 |
| a | 12.7794 ± 0.0011 Å |
| b | 20.788 ± 0.0017 Å |
| c | 25.784 ± 0.002 Å |
| α | 90° |
| β | 96.724 ± 0.001° |
| γ | 90° |
| Cell volume | 6802.6 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178732 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/43. |
4084386.cif |
| 127231 | 2014-11-12 | cif/ Updating files of 4084383, 4084384, 4084385, 4084386 Original log message: Adding full bibliography for 4084383--4084386.cif. |
4084386.cif |
| 124136 | 2014-09-24 | cif/ Adding structures of 4084383, 4084384, 4084385, 4084386 via cif-deposit CGI script. |
4084386.cif |
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Users of the data should acknowledge the original authors of the
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