Information card for entry 7125859

Structure parameters

• Formula: C16 H12 Cl5 F5 Si2
• Calculated formula: C16 H12 Cl5 F5 Si2
• Title of publication: London dispersion-driven hetero-aryl-aryl interactions in 1,2-diaryldisilanes.
• Authors of publication: Linnemannstöns, Marvin; Schwabedissen, Jan; Schultz, Aaron A.; Neumann, Beate; Stammler, Hans-Georg; Berger, Raphael J. F.; Mitzel, Norbert W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 15
• Pages of publication: 2252 - 2255
• a: 7.461 ± 0.0002 Å
• b: 19.0631 ± 0.0005 Å
• c: 14.6867 ± 0.0003 Å
• α: 90°
• β: 91.567 ± 0.002°
• γ: 90°
• Cell volume: 2088.11 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No