Information card for entry 4340276

Structure parameters

• Formula: C18 H22 Al2 O4 S2
• Calculated formula: C18 H22 Al2 O4 S2
• SMILES: C[Al]1(C)[O]=C(O[Al](C)(C)[O]=C(O1)Sc1ccccc1)Sc1ccccc1
• 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: 7.3848 ± 0.0007 Å
• b: 7.8025 ± 0.0007 Å
• c: 9.7743 ± 0.0009 Å
• α: 95.896 ± 0.002°
• β: 90.289 ± 0.002°
• γ: 108.727 ± 0.002°
• Cell volume: 530.12 ± 0.08 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: 0.036
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No