Information card for entry 7125856

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: 7.4433 ± 0.0004 Å
• b: 15.7582 ± 0.0009 Å
• c: 18.0844 ± 0.0012 Å
• α: 89.433 ± 0.005°
• β: 81.593 ± 0.005°
• γ: 80.33 ± 0.005°
• Cell volume: 2068.3 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0358
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No