Information card for entry 7033984

Structure parameters

• Formula: C296.64 H412.1 Mg8 N9 O32
• Calculated formula: C296.62 H412.12 Mg8 N9 O32
• Title of publication: Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols.
• Authors of publication: Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5692 - 5702
• a: 30.011 ± 0.0009 Å
• b: 17.0781 ± 0.0007 Å
• c: 60.065 ± 0.002 Å
• α: 90°
• β: 90.689 ± 0.003°
• γ: 90°
• Cell volume: 30782.9 ± 1.9 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.2407
• Residual factor for significantly intense reflections: 0.1986
• Weighted residual factors for significantly intense reflections: 0.4917
• Weighted residual factors for all reflections included in the refinement: 0.5174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.728
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No