Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1560031
Preview
| Coordinates | 1560031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1 |
|---|---|
| Chemical name | 1 |
| Formula | C52 H96 O Si8 U2 |
| Calculated formula | C52 H96 O Si8 U2 |
| SMILES | [U]123456789%10([CH]%11=[CH]%10[CH]2=[CH]3[CH]8=[CH]1[CH]6=[CH]5%11)([C]1([Si](C)(C)C)=[C]4([Si](C)(C)C)[C]9([Si](C)(C)C)=[C]71[Si](C)(C)C)[O]1CCCC1.[U]123456789%10([CH]%11=[CH]7[CH]8=[CH]9[CH]4=[CH]2[CH]%10=[CH]1%11)[C]1([Si](C)(C)C)=[C]3([Si](C)(C)C)[C]6([Si](C)(C)C)=[C]51[Si](C)(C)C |
| Title of publication | Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes |
| Authors of publication | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 8 |
| Pages of publication | 2948 - 2954 |
| a | 10.5444 ± 0.0003 Å |
| b | 18.4631 ± 0.0004 Å |
| c | 31.5083 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6134.1 ± 0.3 Å3 |
| Cell temperature | 99.9 ± 0.6 K |
| Ambient diffraction temperature | 99.9 ± 0.6 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.0637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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 |
|---|---|---|---|
| 263685 (current) | 2021-04-05 | cif/ Updating files of 1560031, 1560032, 1560033, 1560034, 1560035, 1560036 Original log message: Adding full bibliography for 1560031--1560036.cif. |
1560031.cif |
| 260899 | 2021-01-12 | cif/ Adding structures of 1560031, 1560032, 1560033, 1560034, 1560035, 1560036 via cif-deposit CGI script. |
1560031.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.