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Information card for entry 7119115
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| Coordinates | 7119115.cif |
|---|
| Formula | C45 H68 O3 S Sm2 |
|---|---|
| Calculated formula | C45 H68 O3 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 | 10.7989 ± 0.0009 Å |
| b | 23.324 ± 0.002 Å |
| c | 18.592 ± 0.0016 Å |
| α | 90° |
| β | 106.381 ± 0.007° |
| γ | 90° |
| Cell volume | 4492.7 ± 0.7 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0707 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1436 |
| Weighted residual factors for all reflections included in the refinement | 0.1579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
7119115.cif |
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Users of the data should acknowledge the original authors of the
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