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Information card for entry 7710611
Preview
| Coordinates | 7710611.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H57 N S Si4 U |
|---|---|
| Calculated formula | C45 H57 N S Si4 U |
| SMILES | [c]12([cH]3[c]4([cH]5[cH]1[U]16789%10%112345([c]2([cH]1[c]6([cH]7[cH]82)[Si](C)(C)C)[Si](C)(C)C)[C](=C(/C(S%11)=N/c1ccccc1)c1ccccc1)=[C]9=C%10c1ccccc1)[Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation. |
| Authors of publication | Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2022 |
| Journal volume | 51 |
| Journal issue | 29 |
| Pages of publication | 11072 - 11085 |
| a | 11.8426 ± 0.0002 Å |
| b | 13.5469 ± 0.0002 Å |
| c | 14.926 ± 0.0001 Å |
| α | 85.259 ± 0.001° |
| β | 87.947 ± 0.001° |
| γ | 74.723 ± 0.001° |
| Cell volume | 2301.82 ± 0.06 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277109 (current) | 2022-08-06 | cif/ Updating files of 7710605, 7710606, 7710607, 7710608, 7710609, 7710610, 7710611, 7710612, 7710613, 7710614, 7710615, 7710616, 7710617 Original log message: Adding full bibliography for 7710605--7710617.cif. |
7710611.cif |
| 276301 | 2022-06-28 | cif/ Adding structures of 7710605, 7710606, 7710607, 7710608, 7710609, 7710610, 7710611, 7710612, 7710613, 7710614, 7710615, 7710616, 7710617 via cif-deposit CGI script. |
7710611.cif |
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Users of the data should acknowledge the original authors of the
structural data.