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Information card for entry 1516894
Preview
| Coordinates | 1516894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 13 |
|---|---|
| Formula | C55 H90 O3 Si4 U2 |
| Calculated formula | C55 H90 O3 Si4 U2 |
| SMILES | C1(O[U]23456789%10%11%12([CH]%13=[C]3([CH]4=[CH]5[CH]6=[CH]9[C]7(=[CH]8%13)[Si](C)(C)C)[Si](C)(C)C)([c]3([c]%10(C)[c]%11([c]%12(C)[c]32C)C)C(C)(C)C)O1)=[O][U]123456789%10%11([c]%12([c]%11([c]%10([c]9([c]8%12C(C)(C)C)C)C)C)C)[C]8(=[CH]1[CH]2=[C]3([CH]4=[CH]5[CH]6=[CH]78)[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 | 11.737 ± 0.002 Å |
| b | 18.983 ± 0.004 Å |
| c | 25.761 ± 0.005 Å |
| α | 90° |
| β | 95.43 ± 0.03° |
| γ | 90° |
| Cell volume | 5713.9 ± 1.9 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1035 |
| Weighted residual factors for all reflections included in the refinement | 0.1142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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. |
1516894.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. |
1516894.cif |
| 119604 | 2014-07-08 | cif/ Adding structures of 1516885, 1516886, 1516887, 1516888, 1516889, 1516890, 1516891, 1516892, 1516893, 1516894 via cif-deposit CGI script. |
1516894.cif |
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Users of the data should acknowledge the original authors of the
structural data.