Information card for entry 4120074

Structure parameters

• Formula: C144 H196 S4 Si2
• Calculated formula: C108.5 S4.22 Si2.35
• Title of publication: Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles
• Authors of publication: Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10134 - 10148
• a: 26.2117 ± 0.0018 Å
• b: 18.3555 ± 0.0013 Å
• c: 41.77 ± 0.004 Å
• α: 90°
• β: 106.83 ± 0.004°
• γ: 90°
• Cell volume: 19236 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.285
• Residual factor for significantly intense reflections: 0.2423
• Weighted residual factors for significantly intense reflections: 0.5481
• Weighted residual factors for all reflections included in the refinement: 0.5918
• Goodness-of-fit parameter for all reflections included in the refinement: 2.42
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No