Information card for entry 4327919

Structure parameters

• Formula: C14 H10 Al2 Cl4 O4
• Calculated formula: C14 H10 Al2 Cl4 O4
• SMILES: C1(=[O][Al](OC(c2ccccc2)=[O][Al](O1)(Cl)Cl)(Cl)Cl)c1ccccc1
• Title of publication: Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes
• Authors of publication: Wojciech Bury; Elżbieta Chwojnowska; Iwona Justyniak; Janusz Lewiński; Aneta Affek; Ewa Zygadło-Monikowska; Joanna Bąk; Zbigniew Florjańczyk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 737 - 745
• a: 7.1889 ± 0.0003 Å
• b: 8.6829 ± 0.0003 Å
• c: 8.9185 ± 0.0004 Å
• α: 113.518 ± 0.002°
• β: 112.421 ± 0.002°
• γ: 93.641 ± 0.002°
• Cell volume: 456.33 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0826
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No