Information card for entry 4327920

Structure parameters

• Formula: C8 H20 Al2 Cl6 O4
• Calculated formula: C8 H20 Al2 Cl6 O4
• SMILES: C[O]1CC[O](C)[Al]21(Cl)([O](C)CC[O]2C)Cl.[Al](Cl)(Cl)(Cl)[Cl-]
• 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: 6.7311 ± 0.0002 Å
• b: 14.7242 ± 0.0004 Å
• c: 19.1681 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1899.75 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No