Information card for entry 1512945

Structure parameters

• Formula: C42 H40 Al2 N2 O10
• Calculated formula: C42 H40 Al2 N2 O10
• SMILES: [Al]123([n]4ccccc4)([n]4ccccc4)[O]=C(c4c(O[Al](Oc5c(C(=[O]2)c2c(O3)cc(OC)cc2)ccc(OC)c5)(C)C)cc(OC)cc4)c2ccc(OC)cc2O1
• Title of publication: Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides
• Authors of publication: Timothy J. Boyle; Leigh Anna M. Ottley
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2010
• Journal volume: 364
• Journal issue: 1
• Pages of publication: 69 - 80
• a: 13.641 ± 0.003 Å
• b: 23.704 ± 0.005 Å
• c: 15.533 ± 0.003 Å
• α: 90°
• β: 106.974 ± 0.004°
• γ: 90°
• Cell volume: 4803.7 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No