Information card for entry 4510163

Structure parameters

• Formula: C16 H12 O4 S10
• Calculated formula: C16 H12 O4 S10
• Title of publication: Two-Dimensional Brickblock Arrangement in Bis-Fused Tetrathiafulvalene Semiconductors
• Authors of publication: Terauchi, Takeshi; Sumi, Satoshi; Kobayashi, Yuka; Matsushita, Yoshitaka; Sato, Akira
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1412
• a: 8.7604 ± 0.001 Å
• b: 10.0725 ± 0.0012 Å
• c: 25.881 ± 0.003 Å
• α: 96.591 ± 0.003°
• β: 92.22 ± 0.003°
• γ: 90.392 ± 0.003°
• Cell volume: 2266.8 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No