Information card for entry 4310119

Structure parameters

• Formula: C36 H30 Bi2 Br6 S6
• Calculated formula: C36 H30 Bi2 Br6 S6
• Title of publication: Semiconductive Coordination Networks from Bismuth(III) Bromide and 1,2-Bis(methylthio)phenylacetylene-Based Ligands
• Authors of publication: Kunhao Li; Hanhui Xu; Zhengtao Xu; Matthias Zeller; Allen D. Hunter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8855 - 8860
• a: 9.9885 ± 0.001 Å
• b: 11.9178 ± 0.0012 Å
• c: 20.045 ± 0.002 Å
• α: 92.579 ± 0.002°
• β: 98.847 ± 0.002°
• γ: 110.781 ± 0.002°
• Cell volume: 2191.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No