Information card for entry 7053035

Structure parameters

• Formula: C11 H8 O S8
• Calculated formula: C11 H8 O S8
• SMILES: C1(=O)SC=C(C2=CSC(=C3SC(=C(S3)SC)SC)S2)S1
• Title of publication: Redox-active proligands from the direct connection of 1,3-dithiol-2-one to tetrathiafulvalene (TTF): syntheses, characterizations and metal complexation
• Authors of publication: Camerel, Franck; Jeannin, Olivier; Yzambart, Gilles; Fabre, Bruno; Lorcy, Dominique; Fourmigué, Marc
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 4
• Pages of publication: 992
• a: 10.1011 ± 0.0017 Å
• b: 11.4452 ± 0.0018 Å
• c: 15.124 ± 0.002 Å
• α: 69.997 ± 0.007°
• β: 81.79 ± 0.007°
• γ: 73.284 ± 0.007°
• Cell volume: 1571.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No