Information card for entry 7125858

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: 7.5524 ± 0.0004 Å
• b: 14.9892 ± 0.0006 Å
• c: 18.806 ± 0.0009 Å
• α: 90°
• β: 101.387 ± 0.004°
• γ: 90°
• Cell volume: 2087.02 ± 0.17 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No