Information card for entry 7200847

Structure parameters

• Common name: EDT-TTF-CONH-Bypiridine-NH2
• Formula: C20 H16 Cl2 N4 O S6
• Calculated formula: C20 H16 Cl2 N4 O S6
• SMILES: C1CSC2=C(S1)SC(S2)=C1SC=C(C(=O)Nc2cccnc2c2c(cccn2)N)S1.ClCCl
• Title of publication: Supramolecular electroactive organogel and conducting nanofibers with C3-symmetrical architectures
• Authors of publication: Danila, Ion; Riobé, François; Puigmartí-Luis, Josep; Pérez del Pino, Ángel; Wallis, John D.; Amabilino, David B.; Avarvari, Narcis
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 26
• Pages of publication: 4495
• a: 11.8333 ± 0.0009 Å
• b: 5.1318 ± 0.0003 Å
• c: 40.565 ± 0.004 Å
• α: 90°
• β: 93.54 ± 0.01°
• γ: 90°
• Cell volume: 2458.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No