Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1516893
Preview
Coordinates | 1516893.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 12 |
---|---|
Chemical name | 12 |
Formula | C58 H86 O3 Si4 U2 |
Calculated formula | C53 H85.5 O3 Si4 U2 |
SMILES | [U]123456789%10%11%12([CH]%13=[CH]4[C]5([Si](C)(C)C)=[CH]2[CH]6=[CH]7[CH]3=[C]8%13[Si](C)(C)C)([c]2(C(C)C)[c]9(C)[c]%10(C)[c]%11([c]2%12C)C)[O]=C(O1)O[U]123456789%10%11([CH]%12=[CH]4[C]5([Si](C)(C)C)=[CH]2[CH]6=[CH]7[CH]3=[C]8%12[Si](C)(C)C)[c]2(C(C)C)[c]9(C)[c]%10(C)[c]%11([c]21C)C |
Title of publication | Controlling selectivity in the reductive activation of CO2 by mixed sandwich uranium(iii) complexes |
Authors of publication | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 10 |
Pages of publication | 3777 |
a | 43.8503 ± 0.0011 Å |
b | 10.3313 ± 0.0002 Å |
c | 24.2758 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10997.7 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0626 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.0736 |
Weighted residual factors for all reflections included in the refinement | 0.0794 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1516893.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.