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Information card for entry 4087175
Preview
| Coordinates | 4087175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H63 N3 U |
|---|---|
| Calculated formula | C39 H63 N3 U |
| SMILES | [U]123456789(N(C%10CCCCC%10)C(=NC%10CCCCC%10)N1C1CCCCC1)([c]1([c]4([c]9([c]3([c]21C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C |
| Title of publication | Small-Molecule Activation Mediated by a Uranium Bipyridyl Metallocene |
| Authors of publication | Zhang, Lei; Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D. |
| Journal of publication | Organometallics |
| Year of publication | 2017 |
| a | 10.0513 ± 0.0003 Å |
| b | 20.195 ± 0.0006 Å |
| c | 17.8977 ± 0.0005 Å |
| α | 90° |
| β | 90.029 ± 0.003° |
| γ | 90° |
| Cell volume | 3632.98 ± 0.18 Å3 |
| Cell temperature | 100.2 ± 0.9 K |
| Ambient diffraction temperature | 100.2 ± 0.9 K |
| Number of distinct elements | 4 |
| 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 | 0.0581 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.057 |
| Weighted residual factors for all reflections included in the refinement | 0.0621 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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 |
|---|---|---|---|
| 194171 (current) | 2017-03-11 | cif/ Adding structures of 4087175, 4087176, 4087177 via cif-deposit CGI script. |
4087175.cif |
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Users of the data should acknowledge the original authors of the
structural data.