Information card for entry 4116735

Structure parameters

• Formula: C34 H24 Br2 I7 S24
• Calculated formula: C34 H24 Br2 I6.5 S24
• 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: 32.09 ± 0.004 Å
• b: 13.932 ± 0.002 Å
• c: 15.307 ± 0.002 Å
• α: 90°
• β: 117.54 ± 0.01°
• γ: 90°
• Cell volume: 6068 ± 1.5 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0385
• Goodness-of-fit parameter for significantly intense reflections: 2.534
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No