Information card for entry 7123263

Structure parameters

• Formula: C78 H90 Li6 O6 Si6
• Calculated formula: C78 H90 Li6 O6 Si6
• Title of publication: Trifunctional organometallic frameworks and cages based on all-cis-1,3,5-triethynyl-1,3,5-trisilacyclohexanes
• Authors of publication: Weisheim, Eugen; Weigel, Simon; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.1176 ± 0.0002 Å
• b: 12.1176 ± 0.0002 Å
• c: 44.8866 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5707.96 ± 0.17 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No