Information card for entry 7122902

Structure parameters

• Formula: C39.5 H68 Al2 N4 Si2
• Calculated formula: C39.5 H68 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: 18.949 ± 0.002 Å
• b: 11.775 ± 0.002 Å
• c: 20.216 ± 0.003 Å
• α: 90°
• β: 102.27 ± 0.02°
• γ: 90°
• Cell volume: 4407.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No