Information card for entry 4120456

Structure parameters

• Formula: C62 H66 S2 Si
• Calculated formula: C62 H66 S2 Si
• Title of publication: Reversible Complexation of Ethylene by a Silylene under Ambient Conditions.
• Authors of publication: Lips, Felicitas; Fettinger, James C.; Mansikkamäki, Akseli; Tuononen, Heikki M.; Power, Philip P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 2
• Pages of publication: 634 - 637
• a: 11.2065 ± 0.0012 Å
• b: 19.85 ± 0.002 Å
• c: 12.2681 ± 0.0013 Å
• α: 90°
• β: 110.793 ± 0.0016°
• γ: 90°
• Cell volume: 2551.3 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No