Information card for entry 7119117

Structure parameters

• Formula: C44 H68 O4 S Sm2
• Calculated formula: C44 H68 O4 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: 17.824 ± 0.004 Å
• b: 16.299 ± 0.003 Å
• c: 16.056 ± 0.003 Å
• α: 90°
• β: 108.56 ± 0.03°
• γ: 90°
• Cell volume: 4421.9 ± 1.7 ų
• Cell temperature: 195 K
• Ambient diffraction temperature: 195 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: 0.1092
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.731
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No