Information card for entry 7204940

Structure parameters

• Formula: C40 H28 Cl I2 S24
• Calculated formula: C40 H28 Cl I2 S24
• Title of publication: Structural and physical properties of conducting cation radical salts containing supramolecular assemblies based on p-bis(iodoethynyl)benzene derivatives
• Authors of publication: Yamamoto, Hiroshi M.; Maeda, Ryoko; Yamaura, Jun-Ichi; Kato, Reizo
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1034
• a: 10.198 ± 0.001 Å
• b: 15.559 ± 0.002 Å
• c: 9.296 ± 0.001 Å
• α: 99.634 ± 0.006°
• β: 106.931 ± 0.007°
• γ: 76.581 ± 0.007°
• Cell volume: 1364.6 ± 0.3 ų
• Cell temperature: 293.2 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 significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 3.83
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No