Information card for entry 4133738

Structure parameters

• Formula: C138.75 H223.75 Li4 O3 Si10
• Calculated formula: C138.75 H223.75 Li4 O3 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: 16.003 ± 0.0011 Å
• b: 29.9444 ± 0.0019 Å
• c: 31.757 ± 0.002 Å
• α: 107.539 ± 0.003°
• β: 97.162 ± 0.003°
• γ: 93.935 ± 0.003°
• Cell volume: 14306.3 ± 1.6 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 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: 0.1407
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No