Information card for entry 4131766

Structure parameters

• Formula: C62 H106 Bi2 N4 O2 S5 Si4
• Calculated formula: C56 H92 Bi2 N4 O2 S5 Si4
• Title of publication: Bismuth(III) Complex of the [S₄]^•- Radical Anion: Dimer Formation via Pancake Bonds.
• Authors of publication: Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 46
• Pages of publication: 16490 - 16493
• a: 12.2335 ± 0.0002 Å
• b: 16.5506 ± 0.0002 Å
• c: 18.8461 ± 0.0002 Å
• α: 91.8495 ± 0.0011°
• β: 90.7584 ± 0.0013°
• γ: 105.556 ± 0.0015°
• Cell volume: 3673.15 ± 0.09 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.0343
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No