Information card for entry 2220287

Structure parameters

• Common name: bi-TTF(bipyridine)
• Chemical name: 4,4'-bis[(3,6,7-trimethylsulfanyltetrathiafulvalen-2-yl)sulfanylmethyl]- 2,2'-bipyridine
• Formula: C30 H28 N2 S16
• Calculated formula: C30 H28 N2 S16
• SMILES: CSC1=C(SCc2ccnc(c2)c2nccc(c2)CSC2=C(SC)SC(=C3SC(=C(S3)SC)SC)S2)SC(=C2SC(=C(S2)SC)SC)S1
• Title of publication: A bi-TTF with a bipyridine spacer: 4,4'-bis[(3,6,7-trimethylsulfanyltetrathiafulvalen-2-yl)sulfanylmethyl]-2,2'-bipyridine
• Authors of publication: Kaboub, Lakhemici; Fabre, Jean-Marc; Legros, Jean-Pierre
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2484 - o2485
• a: 7.484 ± 0.0012 Å
• b: 7.7691 ± 0.0011 Å
• c: 17.707 ± 0.003 Å
• α: 88.973 ± 0.012°
• β: 80.071 ± 0.013°
• γ: 72.245 ± 0.013°
• Cell volume: 965.2 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes