Information card for entry 7041439

Structure parameters

• Formula: C90.8 H95.6 Al2 B Cl17.6 N4 Na
• Calculated formula: C90.8 H95.6 Al2 B Cl17.6 N4 Na
• Title of publication: Pursuing the active species in an aluminium-based Lewis acid system for catalytic Diels-Alder cycloadditions.
• Authors of publication: Liu, Zhizhou; Ganguly, Rakesh; Vidović, Dragoslav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 753 - 759
• a: 16.9979 ± 0.0007 Å
• b: 27.9699 ± 0.0011 Å
• c: 20.6231 ± 0.0009 Å
• α: 90°
• β: 92.6642 ± 0.0016°
• γ: 90°
• Cell volume: 9794.2 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No