Information card for entry 7004195

Structure parameters

• Common name: trans-Ph2TTF(SiPh2H)2
• Formula: C42 H32 S4 Si2
• Calculated formula: C42 H32 S4 Si2
• SMILES: C1(SC(=C(c2ccccc2)S1)[SiH](c1ccccc1)c1ccccc1)=C1SC(=C(c2ccccc2)S1)[SiH](c1ccccc1)c1ccccc1
• Title of publication: Synthesis and reactivity of silylated tetrathiafulvalenes
• Authors of publication: Hameau, Aurélien; Guyon, Fabrice; Knorr, Michael; Däschlein, Christian; Strohmann, Carsten; Avarvari, Narcis
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4866 - 4876
• a: 17.299 ± 0.004 Å
• b: 5.9428 ± 0.0011 Å
• c: 19.486 ± 0.004 Å
• α: 90 ± 0.02°
• β: 112.2 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 1854.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2775
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 0.615
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No