Information card for entry 1552236

Structure parameters

• Formula: C60 H131 F K2 N4 O12 Si17
• Calculated formula: C60 H131 F K2 N4 O12 Si17
• Title of publication: Silicon Clusters with Six and Seven Unsubstituted Vertices via a Two-step Reaction from Elemental Silicon
• Authors of publication: Schiegerl, Lorenz; Karttunen, Antti J.; Klein, Wilhelm; Fässler, Thomas F
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 16.4939 ± 0.0009 Å
• b: 25.3561 ± 0.0017 Å
• c: 22.6197 ± 0.0012 Å
• α: 90°
• β: 90.756 ± 0.004°
• γ: 90°
• Cell volume: 9459.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1411
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No