Information card for entry 7213008

Structure parameters

• Formula: C15 H9 N S8
• Calculated formula: C15 H9 N S8
• SMILES: S1C(SC2=C1SC=C(S2)c1ncccc1)=C1SC2=C(S1)SCCS2
• Title of publication: New electron donors: BEDT-TTF derivatives bearing a pyridine group; synthesis, crystal structure, electrochemical studies and the formation of charge transfer complexes
• Authors of publication: Xu, Wei; Zhang, Deqing; Li, Hongxiang; Zhu, Daoben
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1245
• a: 11.448 ± 0.005 Å
• b: 35.68 ± 0.01 Å
• c: 8.632 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3526 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1036
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections: 0.2756
• Weighted residual factors for significantly intense reflections: 0.1956
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No