Information card for entry 4327926

Structure parameters

• Formula: C26 H47 Al3 Cl6 O10
• Calculated formula: C26 H47 Al3 Cl6 O10
• SMILES: Cl[Al]12([OH][Al](Cl)([O]3CCCC3)([O]3CCCC3)([O]=C(C=C)O1)[O]=C(C=C)O2)([O]1CCCC1)[O]1CCCC1.[Cl-][Al](Cl)(Cl)Cl.O1CCCC1
• 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: 15.4156 ± 0.0011 Å
• b: 14.166 ± 0.001 Å
• c: 22.3022 ± 0.0014 Å
• α: 90°
• β: 128.659 ± 0.004°
• γ: 90°
• Cell volume: 3803.1 ± 0.5 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No