Information card for entry 7119119

Structure parameters

• 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 ų
• 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