Information card for entry 2010740

Structure parameters

• Chemical name: 4,5-bis[(2-hydroxyethyl)thio]-2-{4,5-bis[(2-hydroxyethyl)thio]-1,3-dithiol-2- ylidene}-1,3-dithiole
• Formula: C14 H20 B F4 O4 S8
• Calculated formula: C14 H20 B F4 O4 S8
• SMILES: [B](F)(F)(F)[F-].C1(SC(=C(S1)SCCO)SCCO)=C1SC(=C(S1)SCCO)SCCO
• Title of publication: 2,3,4,5-Tetrakis[(2-hydroxyethyl)thio]tetrathiafulvalene tetrafluoroborate
• Authors of publication: Yao, Youxin; Zeng, Wenju; Zhang, Bin; Liu, Yunqi; Zhu, Daoben
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: e90 - e91
• a: 9.707 ± 0.0005 Å
• b: 11.575 ± 0.0006 Å
• c: 11.592 ± 0.0007 Å
• α: 71.333 ± 0.003°
• β: 85.678 ± 0.004°
• γ: 73.601 ± 0.003°
• Cell volume: 1183.58 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No