Information card for entry 7204639

Structure parameters

• Formula: C18 H14 B F4 S14
• Calculated formula: C18 H14 B F4 S14
• SMILES: S1CCSC2=C1SC(S2)=C1SC(=CS1)SCCSC1=CSC(S1)=C1SC2=C(S1)SCCS2.[B](F)(F)(F)[F-]
• Title of publication: Cation radical salts of ethylenedisulfanyl-bridged dimeric ethylenedithiotetrathiafulvalene with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (TCNQF4), PF6?, AsF6?and BF4?: synthesis, structure and conducting properties
• Authors of publication: Zou, Lei; Xu, Wei; Jia, Chunyang; Zhang, Deqing; Wang, Quanrui; Zhu, Daoben
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2003
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1646
• a: 7.5666 ± 0.0015 Å
• b: 28.34 ± 0.006 Å
• c: 13.239 ± 0.003 Å
• α: 90°
• β: 104.09 ± 0.03°
• γ: 90°
• Cell volume: 2753.5 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0849
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 0.784
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No