Information card for entry 4121301

Structure parameters

• Formula: C33 H46 N4 Si3
• Calculated formula: C33 H46 N4 Si3
• Title of publication: Silicon Ring Strain Creates High-Conductance Pathways in Single-Molecule Circuits
• Authors of publication: Timothy A. Su; Jonathan R. Widawsky; Haixing Li; Rebekka S. Klausen; James L. Leighton; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 18331 - 18334
• a: 19.61 ± 0.003 Å
• b: 18.285 ± 0.002 Å
• c: 9.2215 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3306.5 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1528
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No