Information card for entry 7041440

Structure parameters

• Formula: C64.36 H68.91 Al B Cl11.82 N2 O
• Calculated formula: C64.3662 H68.9144 Al B Cl11.8224 N2 O
• 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: 14.2999 ± 0.0007 Å
• b: 16.7422 ± 0.0009 Å
• c: 17.0542 ± 0.0009 Å
• α: 118.918 ± 0.0018°
• β: 104.677 ± 0.0019°
• γ: 98.331 ± 0.002°
• Cell volume: 3280.3 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No