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Information card for entry 7119117
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| Coordinates | 7119117.cif |
|---|
| Formula | C44 H68 O4 S Sm2 |
|---|---|
| Calculated formula | C44 H68 O4 S Sm2 |
| Title of publication | Samarocene oxide: from an undesired decomposition product to a new reagent |
| Authors of publication | Christoph Schoo; Svetlana V. Klementyeva; Michael T. Gamer; Sergey N. Konchenko; Peter W. Roesky |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 6654 |
| a | 17.824 ± 0.004 Å |
| b | 16.299 ± 0.003 Å |
| c | 16.056 ± 0.003 Å |
| α | 90° |
| β | 108.56 ± 0.03° |
| γ | 90° |
| Cell volume | 4421.9 ± 1.7 Å3 |
| Cell temperature | 195 K |
| Ambient diffraction temperature | 195 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 | 0.1092 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.731 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185752 (current) | 2016-08-11 | cif/ Adding structures of 7119115, 7119116, 7119117, 7119118, 7119119, 7119120 via cif-deposit CGI script. |
7119117.cif |
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Users of the data should acknowledge the original authors of the
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