Information card for entry 7004197

Structure parameters

• Formula: C28 H40 S4 Si4
• Calculated formula: C28 H40 S4 Si4
• SMILES: C1(SC(=C(S1)[Si](C)(C)[Si](C)(C)C)c1ccccc1)=C1SC(=C(S1)[Si](C)(C)[Si](C)(C)C)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: 8.021 ± 0.0016 Å
• b: 18.44 ± 0.004 Å
• c: 23.144 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3423.2 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No