Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7054813
Preview
| Coordinates | 7054813.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4 |
|---|---|
| Chemical name | 4 |
| Formula | C70 H120 N2 O5 Si4 U2 |
| Calculated formula | C70 H120 N2 O5 Si4 U2 |
| SMILES | C1(n2c(c(c(c2C)C)C)C)=[O][U]23456789([C]%10(=[CH]8[CH]7=[CH]6[CH]5=[C]4([CH]3=[CH]2%10)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)O[U]2345678([C]%10(=[CH]8[CH]7=[CH]6[CH]5=[C]4([CH]3=[CH]2%10)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)(O1)[O]=C(n1c(c(c(c1C)C)C)C)O9 |
| 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 | 12.961 ± 0.0009 Å |
| b | 14.6337 ± 0.001 Å |
| c | 22.2106 ± 0.0016 Å |
| α | 97.035 ± 0.006° |
| β | 97.053 ± 0.006° |
| γ | 102.983 ± 0.007° |
| Cell volume | 4024.5 ± 0.5 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 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 | 0.1155 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for significantly intense reflections | 0.1751 |
| Weighted residual factors for all reflections included in the refinement | 0.1944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 162082 (current) | 2015-10-09 | cif/ Updating files of 7054809, 7054810, 7054811, 7054812, 7054813, 7054814 Original log message: Adding full bibliography for 7054809--7054814.cif. |
7054813.cif |
| 135960 | 2015-05-09 | cif/ Adding structures of 7054809, 7054810, 7054811, 7054812, 7054813, 7054814 via cif-deposit CGI script. |
7054813.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.