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Information card for entry 7054814
Preview
| Coordinates | 7054814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5 |
|---|---|
| Formula | C70 H120 O5 P2 Si4 U2 |
| Calculated formula | C70 H120 O5 P2 Si4 U2 |
| SMILES | [U]123456789(O[U]%10%11%12%13%14%15%16([O]=C(P%17C(=C(C(=C%17C)C)C)C)O1)([O]=C(P1C(=C(C(=C1C)C)C)C)O2)[C]1(=[CH]%11[CH]%12=[C]%13([Si](C(C)C)(C(C)C)C(C)C)[CH]%14=[CH]%15[CH]%16=[CH]%101)[Si](C(C)C)(C(C)C)C(C)C)[C]1(=[CH]4[CH]5=[C]6([CH]7=[CH]8[CH]9=[CH]31)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C |
| 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 | 22.3131 ± 0.0004 Å |
| b | 15.0442 ± 0.0003 Å |
| c | 22.7699 ± 0.0004 Å |
| α | 90° |
| β | 96.826 ± 0.001° |
| γ | 90° |
| Cell volume | 7589.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0922 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7054814.cif |
| 162082 | 2015-10-09 | cif/ Updating files of 7054809, 7054810, 7054811, 7054812, 7054813, 7054814 Original log message: Adding full bibliography for 7054809--7054814.cif. |
7054814.cif |
| 135960 | 2015-05-09 | cif/ Adding structures of 7054809, 7054810, 7054811, 7054812, 7054813, 7054814 via cif-deposit CGI script. |
7054814.cif |
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Users of the data should acknowledge the original authors of the
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