Information card for entry 7111654

Structure parameters

• Formula: C100 H84 As4 Bi4 Cl8 F12 O12 S4
• Calculated formula: C100 H84 As4 Bi4 Cl8 F12 O12 S4
• SMILES: [Bi]1234([As](c5ccccc5)(c5ccccc5)c5ccccc5)(Cl)[Cl][Bi]5([As](c6ccccc6)(c6ccccc6)c6ccccc6)(Cl)(Cl)OS(=[O]2)(=[O][Bi]26(OS(=[O]1)(=[O][Bi]([As](c1ccccc1)(c1ccccc1)c1ccccc1)([Cl]2)(Cl)(Cl)OS(=[O]6)(=[O]4)C(F)(F)F)C(F)(F)F)([As](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)OS(=[O]3)(=[O]5)C(F)(F)F)C(F)(F)F.c1ccccc1.c1ccccc1.c1ccccc1.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: 11.4407 ± 0.0009 Å
• b: 15.4984 ± 0.0013 Å
• c: 18.1472 ± 0.0015 Å
• α: 67.5168 ± 0.0009°
• β: 74.1484 ± 0.0009°
• γ: 76.214 ± 0.001°
• Cell volume: 2827.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No