Information card for entry 2202575

Structure parameters

• Chemical name: Trichloro(diethyl ether-κO)aluminum(III)
• Formula: C4 H10 Al Cl3 O
• Calculated formula: C4 H10 Al Cl3 O
• SMILES: [Al](Cl)(Cl)(Cl)[O](CC)CC
• Title of publication: Trichloro(diethyl ether-κ<i>O</i>)aluminium(III) from a twinned crystal
• Authors of publication: Hubener, Lukas; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m929 - m930
• a: 6.8961 ± 0.0008 Å
• b: 11.2426 ± 0.0009 Å
• c: 12.5118 ± 0.0014 Å
• α: 90°
• β: 90.611 ± 0.009°
• γ: 90°
• Cell volume: 969.99 ± 0.17 ų
• Cell temperature: 100 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes