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Information card for entry 2243542
Preview
| Coordinates | 2243542.cif |
|---|---|
| Structure factors | 2243542.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(diphenylamido-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)yttrium(III) |
|---|---|
| Formula | C44 H46 N3 O2 Y |
| Calculated formula | C44 H46 N3 O2 Y |
| SMILES | [Y]([O]1CCCC1)([O]1CCCC1)(N(c1ccccc1)c1ccccc1)(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~ |
| Authors of publication | Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 9 |
| Pages of publication | 1447 - 1453 |
| a | 15.3539 ± 0.0009 Å |
| b | 12.5259 ± 0.0007 Å |
| c | 20.2511 ± 0.0012 Å |
| α | 90° |
| β | 107.207 ± 0.001° |
| γ | 90° |
| Cell volume | 3720.4 ± 0.4 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0408 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0771 |
| Weighted residual factors for all reflections included in the refinement | 0.0812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255343 (current) | 2020-08-15 | cif/ hkl/ Adding structures of 2243542, 2243543, 2243544, 2243545, 2243546 via cif-deposit CGI script. |
2243542.cif 2243542.hkl |
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Users of the data should acknowledge the original authors of the
structural data.