Information card for entry 7111656

Structure parameters

• Formula: C52 H40 As2 Bi2 F12 O12 S4
• Calculated formula: C52 H40 As2 Bi2 F12 O12 S4
• SMILES: [Bi]1([As](c2ccccc2)(c2ccccc2)c2ccccc2)(OS(=[O][Bi]([As](c2ccccc2)(c2ccccc2)c2ccccc2)(OS(=[O]1)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)c1ccccc1)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)c1ccccc1
• Title of publication: Bismuthenium-pnictonium dications [R′BiPnR3]2+ (Pn = As, Sb) containing carbenoid bismuth centers and rare Bi‒Sb bonds
• Authors of publication: Conrad, Eamonn; Burford, Neil; McDonald, Robert; Ferguson, Michael J.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 4598 - 4600
• a: 10.9929 ± 0.0006 Å
• b: 14.9895 ± 0.0009 Å
• c: 18.7965 ± 0.0011 Å
• α: 77.24 ± 0.001°
• β: 81.085 ± 0.001°
• γ: 88.203 ± 0.001°
• Cell volume: 2984.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No