Information card for entry 4331504

Structure parameters

• Formula: C30 H43 O Se Sm
• Calculated formula: C30 H43 O Se Sm
• Title of publication: Synthesis, Structure, and Ligand-Based Reduction Reactivity of Trivalent Organosamarium Benzene Chalcogenolate Complexes (C5Me5)2Sm(EPh)(THF) and [(C5Me5)2Sm(μ-EPh)]2
• Authors of publication: Evans, William J.; Miller, Kevin A.; Lee, David S.; Ziller, Joseph W.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4326 - 4332
• a: 17.3589 ± 0.0017 Å
• b: 15.2692 ± 0.0015 Å
• c: 21.463 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5688.9 ± 1 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No