Information card for entry 4131769

Structure parameters

• Formula: C84 H96 N2 O3 Si2
• Calculated formula: C84 H96 N2 O3 Si2
• SMILES: N(c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1)[Si](O[Si](Nc1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1)(C)C)(C)C.O1CCCC1.O1CCCC1
• 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: 15.7886 ± 0.0003 Å
• b: 12.3313 ± 0.0002 Å
• c: 18.8823 ± 0.0003 Å
• α: 90°
• β: 106.214 ± 0.0016°
• γ: 90°
• Cell volume: 3530.05 ± 0.11 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No