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Information card for entry 7054810
Preview
| Coordinates | 7054810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1.THF |
|---|---|
| Formula | C38 H68 N O Si2 U |
| Calculated formula | C38 H68 N O Si2 U |
| SMILES | [U]123456789%10%11([CH]%12=[CH]5[C]2([Si](C(C)C)(C(C)C)C(C)C)=[CH]4[CH]7=[CH]8[CH]6=[C]1%12[Si](C(C)C)(C(C)C)C(C)C)([O]1CCCC1)N1[C]3(=[C]%10([C]%11(=[C]91C)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 | 11.8517 ± 0.0002 Å |
| b | 14.9317 ± 0.0002 Å |
| c | 22.2479 ± 0.0003 Å |
| α | 90° |
| β | 91.366 ± 0.002° |
| γ | 90° |
| Cell volume | 3936 ± 0.1 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0587 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1503 |
| Weighted residual factors for all reflections included in the refinement | 0.1539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7054810.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. |
7054810.cif |
| 135960 | 2015-05-09 | cif/ Adding structures of 7054809, 7054810, 7054811, 7054812, 7054813, 7054814 via cif-deposit CGI script. |
7054810.cif |
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Users of the data should acknowledge the original authors of the
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