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Information card for entry 7707413
Preview
| Coordinates | 7707413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H84 N2 O P2 U |
|---|---|
| Calculated formula | C58 H84 N2 O P2 U |
| SMILES | [c]12([cH]3[c]4([cH]5[cH]1[U]16789%102345([c]2([cH]8[cH]7[c]6([cH]12)C(C)(C)C)C(C)(C)C)[NH]=C1c2ccccc2C(=[N]91)P(c1c(cc(cc1C(C)C)C(C)C)C(C)C)CP(C)(C)=[O]%10)C(C)(C)C)C(C)(C)C.c1ccccc1 |
| Title of publication | Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>). |
| Authors of publication | Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 24 |
| Pages of publication | 8349 - 8363 |
| a | 10.5459 ± 0.0003 Å |
| b | 16.111 ± 0.0005 Å |
| c | 17.2548 ± 0.0003 Å |
| α | 97.179 ± 0.002° |
| β | 100.999 ± 0.002° |
| γ | 104.742 ± 0.003° |
| Cell volume | 2736.2 ± 0.14 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0505 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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 |
|---|---|---|---|
| 267146 (current) | 2021-07-05 | cif/ Updating files of 7707402, 7707403, 7707404, 7707405, 7707406, 7707407, 7707408, 7707409, 7707410, 7707411, 7707412, 7707413, 7707414, 7707415, 7707416 Original log message: Adding full bibliography for 7707402--7707416.cif. |
7707413.cif |
| 265324 | 2021-05-19 | cif/ Adding structures of 7707402, 7707403, 7707404, 7707405, 7707406, 7707407, 7707408, 7707409, 7707410, 7707411, 7707412, 7707413, 7707414, 7707415, 7707416 via cif-deposit CGI script. |
7707413.cif |
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Users of the data should acknowledge the original authors of the
structural data.