Information card for entry 4064681

Structure parameters

• Formula: C14 H18 S4 Si
• Calculated formula: C14 H18 S4 Si
• SMILES: CC1=C(C)SC(=C2SC(=C(C)S2)C#C[Si](C)(C)C)S1
• Title of publication: Electronically Coupled Tetrathiafulvalene Electrophores across a Non-innocent Acetylide‒Ruthenium Bridge
• Authors of publication: Vacher, Antoine; Barrière, Frédéric; Roisnel, Thierry; Piekara-Sady, Lidia; Lorcy, Dominique
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 3570
• a: 6.6734 ± 0.0002 Å
• b: 5.9293 ± 0.0002 Å
• c: 22.1276 ± 0.0007 Å
• α: 90°
• β: 95.854 ± 0.003°
• γ: 90°
• Cell volume: 870.99 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No