Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7707416
Preview
| Coordinates | 7707416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H74 O P2 S2 U |
|---|---|
| Calculated formula | C45 H74 O P2 S2 U |
| SMILES | [c]12([cH]3[cH]4[c]5([cH]1[U]167892345([c]2([cH]1[c]6([cH]7[cH]82)C(C)(C)C)C(C)(C)C)([O]=P(C)(C)C)SC(S9)=Pc1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)(C)C)C(C)(C)C |
| 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 | 15.2799 ± 0.0003 Å |
| b | 13.7684 ± 0.0002 Å |
| c | 25.9808 ± 0.0004 Å |
| α | 90° |
| β | 100.722 ± 0.002° |
| γ | 90° |
| Cell volume | 5370.41 ± 0.16 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0333 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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. |
7707416.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. |
7707416.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.