Information card for entry 7054806

Structure parameters

• Formula: C20 H30 O2 S Sm
• Calculated formula: C20 H30 O2 S Sm
• 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: 8.5615 ± 0.0003 Å
• b: 20.6022 ± 0.0009 Å
• c: 11.7388 ± 0.0006 Å
• α: 90°
• β: 100.794 ± 0.004°
• γ: 90°
• Cell volume: 2033.92 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No