Information card for entry 4131777

Structure parameters

• Formula: C90 H94 Bi N2 O S4 Si2
• Calculated formula: C90 H94 Bi N2 O S4 Si2
• 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: 19.038 ± 0.0002 Å
• b: 27.4178 ± 0.0003 Å
• c: 29.8069 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15558.6 ± 0.3 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No