Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7054814
Preview
Coordinates | 7054814.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5 |
---|---|
Formula | C70 H120 O5 P2 Si4 U2 |
Calculated formula | C70 H120 O5 P2 Si4 U2 |
SMILES | [U]123456789(O[U]%10%11%12%13%14%15%16([O]=C(P%17C(=C(C(=C%17C)C)C)C)O1)([O]=C(P1C(=C(C(=C1C)C)C)C)O2)[C]1(=[CH]%11[CH]%12=[C]%13([Si](C(C)C)(C(C)C)C(C)C)[CH]%14=[CH]%15[CH]%16=[CH]%101)[Si](C(C)C)(C(C)C)C(C)C)[C]1(=[CH]4[CH]5=[C]6([CH]7=[CH]8[CH]9=[CH]31)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C |
Title of publication | Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands |
Authors of publication | Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François |
Journal of publication | New J. Chem. |
Year of publication | 2015 |
Journal volume | 39 |
Journal issue | 10 |
Pages of publication | 7602 |
a | 22.3131 ± 0.0004 Å |
b | 15.0442 ± 0.0003 Å |
c | 22.7699 ± 0.0004 Å |
α | 90° |
β | 96.826 ± 0.001° |
γ | 90° |
Cell volume | 7589.3 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0922 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.0717 |
Weighted residual factors for all reflections included in the refinement | 0.0816 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7054814.html
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.