Information card for entry 4117654

Structure parameters

• Formula: C18 H26 S2 Si2
• Calculated formula: C18 H26 S2 Si2
• SMILES: S(c1ccc(cc1)[Si](C)(C)[Si](C)(C)c1ccc(SC)cc1)C
• Title of publication: Conductive Molecular Silicon
• Authors of publication: Rebekka S. Klausen; Jonathan R. Widawsky; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 4541 - 4544
• a: 9.5692 ± 0.0018 Å
• b: 13.611 ± 0.003 Å
• c: 7.5604 ± 0.0014 Å
• α: 90°
• β: 92.24 ± 0.003°
• γ: 90°
• Cell volume: 984 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0481
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No