Information card for entry 4117840

Structure parameters

• Formula: C48 H52 S2 Si
• Calculated formula: C48 H52 S2 Si
• Title of publication: Isolation of a Stable, Acyclic, Two-Coordinate Silylene
• Authors of publication: Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Heikki M. Tuononen; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 6504 - 6507
• a: 17.1406 ± 0.0007 Å
• b: 11.7612 ± 0.0005 Å
• c: 40.5573 ± 0.0016 Å
• α: 90°
• β: 95.205 ± 0.001°
• γ: 90°
• Cell volume: 8142.4 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No