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Information card for entry 2243546
Preview
| Coordinates | 2243546.cif |
|---|---|
| Structure factors | 2243546.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-diphenylamido-κ^2^<i>N</i>:<i>N</i>)bis[μ-1κ<i>N</i>:2(η^6^)-diphenylamido]tetrakis(diphenylamido-κ<i>N</i>)di-μ~3~-oxido-tetraerbium(III) benzene disolvate |
|---|---|
| Formula | C108 H92 Er4 N8 O2 |
| Calculated formula | C108 H92 Er4 N8 O2 |
| SMILES | [Er]1([N](c2ccccc2)(c2ccccc2)[Er]2(N(c3ccccc3)c3ccccc3)([O]1[Er]1(N(c3ccccc3)c3ccccc3)(N(c3ccccc3)c3ccccc3)[N](c3ccccc3)(c3ccccc3)[Er](N(c3ccccc3)c3ccccc3)[O]21)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1.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 | 12.8857 ± 0.0008 Å |
| b | 13.6846 ± 0.0009 Å |
| c | 13.7411 ± 0.0009 Å |
| α | 61.3447 ± 0.0008° |
| β | 82.7796 ± 0.001° |
| γ | 83.0804 ± 0.001° |
| Cell volume | 2104.4 ± 0.2 Å3 |
| Cell temperature | 88 ± 2 K |
| Ambient diffraction temperature | 88 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0612 |
| Weighted residual factors for all reflections included in the refinement | 0.0624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| 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. |
2243546.cif 2243546.hkl |
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