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Information card for entry 7054809
Preview
| Coordinates | 7054809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1 |
|---|---|
| Formula | C68 H120 N2 Si4 U2 |
| Calculated formula | C68 H120 N2 Si4 U2 |
| SMILES | [U]12345678([CH]9=[CH]6[C]7([Si](C(C)C)(C(C)C)C(C)C)=[CH]5[CH]2=[CH]4[CH]3=[C]89[Si](C(C)C)(C(C)C)C(C)C)[N]2([U]3456789([N]1%10C(=C(C(=C%10C)C)C)C)[C]1([Si](C(C)C)(C(C)C)C(C)C)=[CH]7[CH]5=[C]8([Si](C(C)C)(C(C)C)C(C)C)[CH]3=[CH]6[CH]4=[CH]91)C(=C(C(=C2C)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 | 12.5424 ± 0.0001 Å |
| b | 22.7691 ± 0.0003 Å |
| c | 24.9695 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7130.77 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P b c 21 |
| Hall space group symbol | P 2c -2b |
| Residual factor for all reflections | 0.0468 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.223 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206489 (current) | 2018-02-18 | cif/7 Fixing some Z values and formulae |
7054809.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. |
7054809.cif |
| 135960 | 2015-05-09 | cif/ Adding structures of 7054809, 7054810, 7054811, 7054812, 7054813, 7054814 via cif-deposit CGI script. |
7054809.cif |
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