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Information card for entry 4088768
Preview
| Coordinates | 4088768.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H29 Cl5 Si Ta2 |
|---|---|
| Calculated formula | C17 H29 Cl5 Si Ta2 |
| SMILES | [Ta]1234([Cl][Ta]5678(Cl)(Cl)[C]2(=[C]36([C]47(=[C]18C(C)C=C5[Si](C)(C)C)CC)CC)CC)(Cl)Cl |
| Title of publication | Synthesis and Reactions of Ditantalum—Allyl Complexes Derived from Intramolecular C‒H Bond Activation of the Methylene of the Ethyl Group Bound to Ditantallacyclopentadiene |
| Authors of publication | Yamamoto, Keishi; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 14 |
| Pages of publication | 2384 |
| a | 8.912 ± 0.003 Å |
| b | 10.386 ± 0.003 Å |
| c | 13.515 ± 0.003 Å |
| α | 94.684 ± 0.005° |
| β | 97.881 ± 0.009° |
| γ | 99.817 ± 0.007° |
| Cell volume | 1213.9 ± 0.6 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0165 |
| Residual factor for significantly intense reflections | 0.0134 |
| Weighted residual factors for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections included in the refinement | 0.0316 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237812 (current) | 2019-11-24 | cif/ Adding structures of 4088766, 4088767, 4088768, 4088769 via cif-deposit CGI script. |
4088768.cif |
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Users of the data should acknowledge the original authors of the
structural data.