Information card for entry 4340272

Structure parameters

• Formula: C66 H82 O4 S2 Sm2
• Calculated formula: C66 H82 O4 S2 Sm2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Sm]167892345([O]=C(Sc2ccccc2)O[Sm]2345%10%11%12%13([c]%14([c]2([c]3([c]4([c]5%14C)C)C)C)C)([O]=C(O9)Sc2ccccc2)[c]2([c]%13([c]%12([c]%11([c]%102C)C)C)C)C)[c]2([c]8([c]7([c]6([c]12C)C)C)C)C)C)C)C)C.c1ccccc1.c1ccccc1
• Title of publication: Synthesis of (O2CEPh)1- ligands (E = S, Se) by CO2 insertion into lanthanide chalcogen bonds and their utility in forming crystallographically characterizable organoaluminum complexes [Me2Al(mu-O2CEPh)]2.
• Authors of publication: Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 424 - 429
• a: 10.0448 ± 0.0008 Å
• b: 11.3453 ± 0.0009 Å
• c: 14.8839 ± 0.0012 Å
• α: 71.095 ± 0.001°
• β: 73.951 ± 0.001°
• γ: 69.185 ± 0.001°
• Cell volume: 1474.8 ± 0.2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No