Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1516886
Preview
| Coordinates | 1516886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3 |
|---|---|
| Chemical name | 3 |
| Formula | C30 H51 O Si2 U |
| Calculated formula | C30 H51 O Si2 U |
| SMILES | [C]12(=[CH]3[CH]4=[CH]5[CH]6=[C]7([CH]8=[CH]1[U]19%10%112345678([c]2([c]%11([c]%10([c]9([c]12C)C)C(C)C)C)C)[O]1CCCC1)[Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Controlling selectivity in the reductive activation of CO2by 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 | 11.789 ± 0.002 Å |
| b | 18.961 ± 0.004 Å |
| c | 14.176 ± 0.003 Å |
| α | 90° |
| β | 96.89 ± 0.03° |
| γ | 90° |
| Cell volume | 3145.9 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0559 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0732 |
| Weighted residual factors for all reflections included in the refinement | 0.0796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516886.cif |
| 123380 | 2014-09-08 | cif/ Updating files of 1516885, 1516886, 1516887, 1516888, 1516889, 1516890, 1516891, 1516892, 1516893, 1516894 Original log message: Adding full bibliography for 1516885--1516894.cif. |
1516886.cif |
| 119604 | 2014-07-08 | cif/ Adding structures of 1516885, 1516886, 1516887, 1516888, 1516889, 1516890, 1516891, 1516892, 1516893, 1516894 via cif-deposit CGI script. |
1516886.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.