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Information card for entry 7054805
Preview
| Coordinates | 7054805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H136 O12 S6 Sm4 |
|---|---|
| Calculated formula | C94 H136 O12 S6 Sm4 |
| SMILES | [c]12([c]3([Sm]456789%102([c]1([c]8(C)[c]3%10C)C)([O]=S1S(O4)=[O]2[Sm]348%10%11%12(O1)([O]1=S%13O[Sm]%14%15%16%17%18%19%20%21([c]%22([c]%14([c]%15(C)[c]%20([c]%16%22C)C)C)C)([O]=S%13O[Sm]%13%14%15%1621([O]=S(O4)C1(C(=C(C(=C1C)C)C)C)C)(OS(=[O]3)C1(C(=C(C(=C1C)C)C)C)C)[c]1([c]%13([c]%14([c]%15([c]%161C)C)C)C)C)[c]1([c]%21([c]%19([c]%18([c]%171C)C)C)C)C)[c]1([c]8([c]%10([c]%11([c]%121C)C)C)C)C)[c]1([c]9([c]7([c]6([c]51C)C)C)C)C)C)C.c1(ccccc1)C.c1(ccccc1)C |
| Title of publication | Dithionite and sulfinate complexes from the reaction of SO2with decamethylsamarocene |
| Authors of publication | Klementyeva, Svetlana V.; Arleth, Nicholas; Meyer, Karsten; Konchenko, Sergey N.; Roesky, Peter W. |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 10 |
| Pages of publication | 7589 |
| a | 12.415 ± 0.002 Å |
| b | 12.471 ± 0.003 Å |
| c | 17.87 ± 0.003 Å |
| α | 97.595 ± 0.016° |
| β | 101.297 ± 0.015° |
| γ | 112.448 ± 0.015° |
| Cell volume | 2441.3 ± 0.9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.1352 |
| Residual factor for significantly intense reflections | 0.0867 |
| Weighted residual factors for significantly intense reflections | 0.1991 |
| Weighted residual factors for all reflections included in the refinement | 0.2163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 162062 (current) | 2015-10-09 | cif/ Updating files of 7054804, 7054805, 7054806, 7054807 Original log message: Adding full bibliography for 7054804--7054807.cif. |
7054805.cif |
| 135958 | 2015-05-09 | cif/ Adding structures of 7054804, 7054805, 7054806, 7054807 via cif-deposit CGI script. |
7054805.cif |
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Users of the data should acknowledge the original authors of the
structural data.