Information card for entry 4133735

Structure parameters

• Formula: C71 H122 Si7
• Calculated formula: C71 H122 Si7
• 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: 24.7021 ± 0.0009 Å
• b: 27.0801 ± 0.0008 Å
• c: 24.4934 ± 0.0007 Å
• α: 90°
• β: 113.369 ± 0.0015°
• γ: 90°
• Cell volume: 15040.4 ± 0.8 ų
• Cell temperature: 142 ± 2 K
• Ambient diffraction temperature: 142 ± 2 K
• Number of distinct elements: 3
• 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: 0.152
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No