Information card for entry 7204941

Structure parameters

• Formula: C40 H28 Br I2 S24
• Calculated formula: C40 H28 Br 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: 10.193 ± 0.002 Å
• b: 15.034 ± 0.003 Å
• c: 9.423 ± 0.002 Å
• α: 95.75 ± 0.02°
• β: 106.92 ± 0.02°
• γ: 86.66 ± 0.02°
• Cell volume: 1373.9 ± 0.5 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: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 2.335
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No