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Information card for entry 1516889
Preview
| Coordinates | 1516889.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 7 |
|---|---|
| Chemical name | 7 |
| Formula | C50 H78 O4 Si4 U2 |
| Calculated formula | C50 H78 O4 Si4 U2 |
| SMILES | [U]123456789%10%11%12([c]%13(C)[c]2([c]3(C)[c]4([c]5%13C)C)C)([C]2([Si](C)(C)(C))=[CH]6[CH]7=[C]8([Si](C)(C)C)[CH]9=[CH]%10[CH]%11=[CH]2%12)[O]=C2C(O1)=[O][U]13456789%10%11%12(O2)([c]%13(C)[c]1([c]3(C)[c]4([c]5%13C)C)C)[C]1([Si](C)(C)(C))=[CH]6[CH]7=[C]8([Si](C)(C)C)[CH]9=[CH]%10[CH]%11=[CH]1%12 |
| 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 | 10.48 ± 0.002 Å |
| b | 21.616 ± 0.004 Å |
| c | 23.669 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5361.9 ± 1.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.176 |
| Residual factor for significantly intense reflections | 0.0787 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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. |
1516889.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. |
1516889.cif |
| 119604 | 2014-07-08 | cif/ Adding structures of 1516885, 1516886, 1516887, 1516888, 1516889, 1516890, 1516891, 1516892, 1516893, 1516894 via cif-deposit CGI script. |
1516889.cif |
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Users of the data should acknowledge the original authors of the
structural data.