Information card for entry 4080231

Structure parameters

• Formula: C48 H50 Al2 O4
• Calculated formula: C48 H50 Al2 O4
• SMILES: C(C)[Al]1(CC)[O]=C(C(c2ccccc2)(c2ccccc2)c2ccccc2)O[Al](CC)(CC)[O]=C(C(c2ccccc2)(c2ccccc2)c2ccccc2)O1
• Title of publication: Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization
• Authors of publication: Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1272
• a: 15.3405 ± 0.0007 Å
• b: 14.8579 ± 0.0007 Å
• c: 17.7921 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4055.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No