Information card for entry 7004194

Structure parameters

• Common name: TTF(SiPh2H)4
• Formula: C54 H44 S4 Si4
• Calculated formula: C54 H44 S4 Si4
• SMILES: c1cc(ccc1)[SiH](c1ccccc1)C1=C(SC(S1)=C1SC(=C(S1)[SiH](c1ccccc1)c1ccccc1)[SiH](c1ccccc1)c1ccccc1)[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: 10.2738 ± 0.0014 Å
• b: 10.9233 ± 0.0016 Å
• c: 11.8812 ± 0.0015 Å
• α: 98.43 ± 0.016°
• β: 94.867 ± 0.016°
• γ: 107.326 ± 0.016°
• Cell volume: 1247.4 ± 0.3 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: 0.0602
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No