Information card for entry 4133736

Structure parameters

• Formula: C66 H106 N P Si5
• Calculated formula: C66 H106 N P Si5
• Title of publication: Boron and phosphorus containing heterosiliconoids: stable p- and n-doped unsaturated silicon clusters.
• Authors of publication: Heider, Yannic; Willmes, Philipp; Huch, Volker; Zimmer, Michael; Scheschkewitz, David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 20.5557 ± 0.0011 Å
• b: 13.3994 ± 0.001 Å
• c: 24.2831 ± 0.0017 Å
• α: 90°
• β: 90.261 ± 0.002°
• γ: 90°
• Cell volume: 6688.3 ± 0.8 ų
• Cell temperature: 142 ± 2 K
• Ambient diffraction temperature: 142 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1617
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.383
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No