Information card for entry 7204635

Structure parameters

• Formula: C18 H14 S14
• Calculated formula: C18 H14 S14
• SMILES: C(SC1=CSC(S1)=C1SC2=C(S1)SCCS2)CSC1=CSC(=C2SC3=C(S2)SCCS3)S1
• 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: 5.362 ± 0.0011 Å
• b: 6.145 ± 0.0012 Å
• c: 20.668 ± 0.004 Å
• α: 86.23 ± 0.03°
• β: 88.2 ± 0.03°
• γ: 68.4 ± 0.03°
• Cell volume: 631.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No