Information card for entry 4302991

Structure parameters

• Formula: C12 H10 Al2 Cl4 O2
• Calculated formula: C12 H10 Al2 Cl4 O2
• SMILES: c1(ccccc1)[O]1[Al](Cl)([O](c2ccccc2)[Al]1(Cl)Cl)Cl
• 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: 7.442 ± 0.002 Å
• b: 7.867 ± 0.002 Å
• c: 8.384 ± 0.003 Å
• α: 115.09 ± 0.02°
• β: 113.93 ± 0.03°
• γ: 94.14 ± 0.03°
• Cell volume: 388.2 ± 0.3 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: 0.0553
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No