Information card for entry 4340274

Structure parameters

• Formula: C18 H22 Al2 O4 Se2
• Calculated formula: C18 H22 Al2 O4 Se2
• SMILES: C[Al]1(C)[O]=C(O[Al](C)(C)[O]=C(O1)[Se]c1ccccc1)[Se]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: 7.5821 ± 0.0008 Å
• b: 7.8593 ± 0.0009 Å
• c: 9.7855 ± 0.0011 Å
• α: 95.797 ± 0.002°
• β: 90.635 ± 0.002°
• γ: 109.368 ± 0.002°
• Cell volume: 546.69 ± 0.11 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: 0.0236
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No