Information card for entry 1573424

Structure parameters

• Formula: C28 H32 As F6 S12
• Calculated formula: C28 H32 As F6 S12
• Title of publication: Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene
• Authors of publication: Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji
• Journal of publication: Chemistry
• Year of publication: 2024
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1509 - 1522
• a: 6.6442 ± 0.0002 Å
• b: 8.2163 ± 0.0001 Å
• c: 32.9681 ± 0.0006 Å
• α: 95.051 ± 0.002°
• β: 90.064 ± 0.002°
• γ: 98.937 ± 0.002°
• Cell volume: 1770.8 ± 0.07 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0353
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No