Information card for entry 2238855

Structure parameters

• Chemical name: {2,2'-[Ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(isopropanolato)aluminium dichloromethane hemisolvate
• Formula: C19.5 H22 Al Cl N2 O3
• Calculated formula: C19.5 H22 Al Cl N2 O3
• SMILES: C(C)(C)O[Al]123[N](=Cc4c(O2)cccc4)CC[N]1=Cc1c(O3)cccc1.ClCCl
• Title of publication: {2,2'-[Ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(isopropanolato)aluminium dichloromethane hemisolvate
• Authors of publication: Zaitsev, Kirill V.; Kuchuk, Ekaterina A.; Karlov, Sergey S.; Zaitseva, Galina S.; Churakov, Andrei V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: m631 - m632
• a: 24.427 ± 0.003 Å
• b: 30.875 ± 0.004 Å
• c: 10.0956 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7613.9 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No