Information card for entry 2203424

Structure parameters

• Chemical name: Dichlorotetrakis(tetrahydrofuran)aluminium trichloroethylaluminate
• Formula: C18 H37 Al2 Cl5 O4
• Calculated formula: C18 H37 Al2 Cl5 O4
• SMILES: Cl[Al](Cl)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.Cl[Al](Cl)(Cl)CC
• Title of publication: Dichlorotetrakis(tetrahydrofuran)aluminium trichloroethylaluminate
• Authors of publication: Sluka, Radek; Nečas, Marek; Šindelář, Pavel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m447 - m448
• a: 8.8285 ± 0.0017 Å
• b: 20.225 ± 0.003 Å
• c: 14.638 ± 0.003 Å
• α: 90°
• β: 91.353 ± 0.015°
• γ: 90°
• Cell volume: 2613 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0421
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes