Information card for entry 4331505

Structure parameters

• Formula: C30 H43 O Sm Te
• Calculated formula: C30 H43 O Sm Te
• SMILES: [Sm]12345678([Te]c9ccccc9)([O]9CCCC9)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• 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: 18.3046 ± 0.0017 Å
• b: 17.2195 ± 0.0016 Å
• c: 18.175 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5728.7 ± 0.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No