Information card for entry 7204060

Structure parameters

• Common name: (BPT-TSF)2-FeCl4
• Formula: C24 H24 Cl4 Fe S4 Se8
• Calculated formula: C26.34 Cl4 Fe S3.14 Se8
• 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: 11.731 ± 0.004 Å
• b: 35.41 ± 0.02 Å
• c: 8.609 ± 0.003 Å
• α: 90.03 ± 0.04°
• β: 89.99 ± 0.03°
• γ: 90.06 ± 0.04°
• Cell volume: 3576 ± 3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 4.389
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No