Information card for entry 7133789

Structure parameters

• Formula: C59 H90 N3 P Si5
• Calculated formula: C59 H90 N3 P Si5
• Title of publication: Silicon-Aryl Cooperative Activation of Ammonia
• Authors of publication: Doleschal, Martin Ernst; Kostenko, Arseni; Liu, Jin Yu; Inoue, Shigeyoshi
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 13.1621 ± 0.0007 Å
• b: 13.9425 ± 0.0008 Å
• c: 17.0349 ± 0.001 Å
• α: 93.904 ± 0.002°
• β: 102.733 ± 0.002°
• γ: 96.997 ± 0.002°
• Cell volume: 3011.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0655
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.738
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No