Information card for entry 7204061

Structure parameters

• Common name: (BPS-TSF)2-SbF6
• Formula: C36 H36 As2 F12 Se18
• Calculated formula: C38.84 As2 F12 Se17.5
• Title of publication: Synthesis and properties of novel heterocycle-fused TTF-type electron donors: bis(propylenethio)tetrathiafulvalene (BPT-TTF), bis(propyleneseleno)tetrathiafulvalene (BPS-TTF), and their tetraselenafulvalene analogues (BPT-TSF and BPS-TSF)
• Authors of publication: Jigami, Tetsuya; Kodani, Mie; Murakami, Satoshi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1026
• a: 10.793 ± 0.004 Å
• b: 15.769 ± 0.005 Å
• c: 8.312 ± 0.003 Å
• α: 93.85 ± 0.03°
• β: 109.43 ± 0.02°
• γ: 88.04 ± 0.03°
• Cell volume: 1331 ± 0.8 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.0421
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.689
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No