Information card for entry 4133734

Structure parameters

• Formula: C146 H242 Li4 O2 Si10
• Calculated formula: C146 H242 Li4 O2 Si10
• 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: 13.6454 ± 0.0005 Å
• b: 15.2125 ± 0.0005 Å
• c: 19.0933 ± 0.0007 Å
• α: 76.314 ± 0.001°
• β: 74.233 ± 0.001°
• γ: 76.513 ± 0.001°
• Cell volume: 3645 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No