Information card for entry 7204636

Structure parameters

• Formula: C42 H14 F8 N8 S14
• Calculated formula: C42 H14 F8 N8 S14
• SMILES: C1(SC=C(S1)SCCSC1=CSC(=C2SC3=C(S2)SCCS3)S1)=C1SC2=C(S1)SCCS2.FC1C(C(F)=C(C(C=1F)=C(C#N)C#N)F)=C(C#N)C#N.FC1C(C(F)=C(F)C(C=1F)=C(C#N)C#N)=C(C#N)C#N
• 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: 8.5358 ± 0.0017 Å
• b: 12.105 ± 0.002 Å
• c: 12.197 ± 0.002 Å
• α: 67.7 ± 0.03°
• β: 89.67 ± 0.03°
• γ: 79.61 ± 0.03°
• Cell volume: 1144.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No