Information card for entry 7004196

Structure parameters

• Formula: C16 H18 S8 Si2
• Calculated formula: C16 H18 S8 Si2
• SMILES: C1(=CSC(=C2SC=CS2)S1)[Si](C)(C)[Si](C1=CSC(=C2SC=CS2)S1)(C)C
• 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: 7.9799 ± 0.0016 Å
• b: 8.5086 ± 0.0017 Å
• c: 16.715 ± 0.003 Å
• α: 90°
• β: 93.12 ± 0.03°
• γ: 90°
• Cell volume: 1133.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0894
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No