Information card for entry 4116729

Structure parameters

• Formula: C22 H16 Cl I2 S16
• Calculated formula: C22 H16 Cl0.5 I2 S16
• Title of publication: Multicomponent Molecular Conductors with Supramolecular Assembly: Iodine-Containing Neutral Molecules as Building Blocks
• Authors of publication: Hiroshi M. Yamamoto; Jun-Ichi Yamaura; Reizo Kato
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 5905 - 5913
• a: 7.642 ± 0.003 Å
• b: 17.477 ± 0.006 Å
• c: 6.728 ± 0.003 Å
• α: 99.49 ± 0.03°
• β: 104.9 ± 0.03°
• γ: 83.2 ± 0.03°
• Cell volume: 853.8 ± 0.6 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 566.2 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: 0.0953
• Weighted residual factors for significantly intense reflections: 0.0926
• Goodness-of-fit parameter for significantly intense reflections: 7.182
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No