Information card for entry 7054807

Structure parameters

• Formula: C67 H98 O8 S4 Sm2
• Calculated formula: C67 H97 O8 S4 Sm2
• 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: 11.8154 ± 0.0004 Å
• b: 12.3472 ± 0.0004 Å
• c: 12.4497 ± 0.0004 Å
• α: 76.608 ± 0.002°
• β: 72.242 ± 0.002°
• γ: 74.217 ± 0.002°
• Cell volume: 1642.46 ± 0.1 ų
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No