Information card for entry 7122901

Structure parameters

• Formula: C48 H74 Al2 N4 Si2
• Calculated formula: C48 H74 Al2 N4 Si2
• Title of publication: (PhC(NtBu)2Al)2(SiH2)4 Six-Membered Heterocycle: Comparable in Structure to Cyclohexane
• Authors of publication: Roesky, Herbert W.; Li, Jiancheng; Mingdong, Zhong; Keil, Helena; Zhu, Hongping; Herbst-Irmer, Regine; Stalke, Dietmar; Koley, Debasis; De, Sriman
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.039 ± 0.002 Å
• b: 10.144 ± 0.002 Å
• c: 13.835 ± 0.003 Å
• α: 103.4 ± 0.02°
• β: 97.39 ± 0.02°
• γ: 114.85 ± 0.03°
• Cell volume: 1202.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No