Information card for entry 1552235

Structure parameters

• Formula: C72 H138 K2 N4 O12 Si9 Sn2
• Calculated formula: C72 H138 K2 N4 O12 Si9 Sn2
• 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: 31.6324 ± 0.0014 Å
• b: 11.8423 ± 0.0007 Å
• c: 25.7817 ± 0.0012 Å
• α: 90°
• β: 108.231 ± 0.003°
• γ: 90°
• Cell volume: 9173 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No