Information card for entry 4327924

Structure parameters

• Formula: C48 H75 Al4 Cl4 N3 O13
• Calculated formula: C48 H75 Al4 Cl4 N3 O13
• 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: 11.3611 ± 0.0004 Å
• b: 23.7589 ± 0.0009 Å
• c: 24.7769 ± 0.001 Å
• α: 90°
• β: 107.126 ± 0.002°
• γ: 90°
• Cell volume: 6391.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0855
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No