Information card for entry 4302987

Structure parameters

• Formula: C18 H34 Al2 Cl4 O3
• Calculated formula: C18 H34 Al2 Cl4 O3
• SMILES: Cl[Al]1(Cl)[O](C2CCCCC2)[Al](Cl)(Cl)([O]1C1CCCCC1)[OH]C1CCCCC1
• Title of publication: A Structurally Diverse Series of Aluminum Chloride Alkoxides [ClxAl(μ-OR)y]n (R =nBu,cHex, Ph, 2,4-tBu2C6H3)
• Authors of publication: Zdenek Moravec; Radek Sluka; Marek Necas; Vojtech Jancik; Jiri Pinkas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8106 - 8114
• a: 10.349 ± 0.002 Å
• b: 11.416 ± 0.002 Å
• c: 11.892 ± 0.003 Å
• α: 74.84 ± 0.03°
• β: 85.43 ± 0.02°
• γ: 67.18 ± 0.03°
• Cell volume: 1249.6 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No