Information card for entry 7011816

Structure parameters

• Formula: C0.65 H1.22 Al0.04 O0.09
• Calculated formula: C0.652174 H1.21739 Al0.0434783 O0.0869565
• Title of publication: 1,4-Dioxobenzene compounds of aluminium
• Authors of publication: van Poppel, Laura H.; Bott, Simon G.; Barron, Andrew R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 3327
• a: 8.455 ± 0.002 Å
• b: 12.306 ± 0.003 Å
• c: 16.489 ± 0.003 Å
• α: 90°
• β: 104.67 ± 0.03°
• γ: 90°
• Cell volume: 1659.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0802
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections: 0.1848
• Weighted residual factors for significantly intense reflections: 0.1712
• Goodness-of-fit parameter for all reflections: 0.991
• Goodness-of-fit parameter for significantly intense reflections: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No