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Information card for entry 7119119
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| Coordinates | 7119119.cif |
|---|
| Formula | C68 H86 O4 Sm2 |
|---|---|
| Calculated formula | C68 H86 O4 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 | 10.561 ± 0.002 Å |
| b | 10.7 ± 0.002 Å |
| c | 15.035 ± 0.003 Å |
| α | 110.25 ± 0.03° |
| β | 97.77 ± 0.03° |
| γ | 98.73 ± 0.03° |
| Cell volume | 1542.9 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0793 |
| Weighted residual factors for all reflections included in the refinement | 0.0812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| 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. |
7119119.cif |
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Users of the data should acknowledge the original authors of the
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