Information card for entry 7001574

Structure parameters

• Formula: C63.492 H47.492 Bi4.8796 Br14.6388 S4 Si
• Calculated formula: C63.492 H47.492 Bi4.8796 Br14.6388 S4 Si
• Title of publication: Structural regularity and diversity in hybrids of aromatic thioethers and BiBr3: from discrete complexes to layers and 3D nets
• Authors of publication: Huang, Guo; Sun, Yan-Qiong; Xu, Zhengtao; Zeller, Matthias; Hunter, Allen D.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 26
• Pages of publication: 5083 - 5093
• a: 40.105 ± 0.004 Å
• b: 7.1404 ± 0.0007 Å
• c: 32.31 ± 0.004 Å
• α: 90°
• β: 114.31 ± 0.004°
• γ: 90°
• Cell volume: 8432.1 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No