Information card for entry 4331507

Structure parameters

• Formula: C66 H86 Se2 Sm2
• Calculated formula: C66 H86 Se2 Sm2
• SMILES: [c]12([c]3([Sm]456789%101([c]1([c]7([c]6([c]5([c]41C)C)C)C)C)([c]3([c]9([c]28C)C)C)[Se](c1ccccc1)[Sm]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)([c]1([c]8([c]7([c]6([c]51C)C)C)C)C)[Se]%10c1ccccc1)C)C.c1(ccccc1)C.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: 10.326 ± 0.0004 Å
• b: 10.6832 ± 0.0004 Å
• c: 14.8928 ± 0.0007 Å
• α: 111.012 ± 0.001°
• β: 98.118 ± 0.001°
• γ: 97.333 ± 0.001°
• Cell volume: 1489.77 ± 0.11 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: 0.0351
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No