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Information card for entry 7120447
Preview
| Coordinates | 7120447.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C87 H138 N2 O6 Si6 Yb3 |
|---|---|
| Calculated formula | C87 H138 N2 O6 Si6 Yb3 |
| Title of publication | Synthesis of Rare-Earth-Metal-in-Cryptand Dications, [Ln(2.2.2-cryptand)]2+, from Sm2+, Eu2+, and Yb2+ Silyl Metallocenes (C5H4SiMe3)2Ln(THF)2 |
| Authors of publication | Huh, Daniel N.; Kotyk, Christopher Matthew; Gembicky, Milan; Rheingold, Arnold L.; Ziller, Joseph W.; Evans, William J. |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 15.6054 ± 0.0013 Å |
| b | 25.418 ± 0.002 Å |
| c | 23.8913 ± 0.0019 Å |
| α | 90° |
| β | 94.8892 ± 0.001° |
| γ | 90° |
| Cell volume | 9442.2 ± 1.3 Å3 |
| Cell temperature | 88 ± 2 K |
| Ambient diffraction temperature | 88 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0597 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198704 (current) | 2017-07-14 | cif/ Adding structures of 7120447, 7120448, 7120449, 7120450 via cif-deposit CGI script. |
7120447.cif |
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Users of the data should acknowledge the original authors of the
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