Information card for entry 4331506

Structure parameters

• Formula: C66 H86 S2 Sm2
• Calculated formula: C66 H86 S2 Sm2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Sm]167892345([c]2([c]1(C)[c]9([c]7([c]82C)C)C)C)[S](c1ccccc1)[Sm]12345789([c]%10([c]1([c]2([c]3([c]4%10C)C)C)C)C)([S]6c1ccccc1)[c]1([c]5([c]7([c]8([c]91C)C)C)C)C)C)C)C)C.c1(C)ccccc1.c1(ccccc1)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: 10.3682 ± 0.0012 Å
• b: 10.5399 ± 0.0012 Å
• c: 14.7518 ± 0.0016 Å
• α: 69.395 ± 0.002°
• β: 76.742 ± 0.002°
• γ: 83.724 ± 0.002°
• Cell volume: 1468 ± 0.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 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: 0.0252
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No