Information card for entry 1543372

Structure parameters

• Formula: C5 H20 S2 Si5
• Calculated formula: C4.57143 H13.1429 S0.571429 Si2
• Title of publication: Conformations of cyclopentasilane stereoisomers control molecular junction conductance
• Authors of publication: Li, Haixing; Garner, Marc H.; Shangguan, Zhichun; Zheng, Qianwen; Su, Timothy A.; Neupane, Madhav; Li, Panpan; Velian, Alexandra; Steigerwald, Michael L.; Xiao, Shengxiong; Nuckolls, Colin; Solomon, Gemma C.; Venkataraman, Latha
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 5657
• a: 9.1567 ± 0.0003 Å
• b: 10.4987 ± 0.0003 Å
• c: 16.4783 ± 0.0004 Å
• α: 74.597 ± 0.002°
• β: 82.414 ± 0.002°
• γ: 81.243 ± 0.002°
• Cell volume: 1502.43 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.729
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No