Information card for entry 4131772

Structure parameters

• Formula: C76 H78 Bi N2 O Si2
• Calculated formula: C76 H78 Bi N2 O Si2
• SMILES: N1([Bi]N(c2c(cc(cc2C(c2ccccc2)c2ccccc2)C(C)(C)C)C(c2ccccc2)c2ccccc2)[Si](O[Si]1(C)C)(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1
• 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: 24.5463 ± 0.0006 Å
• b: 11.1899 ± 0.0003 Å
• c: 23.9777 ± 0.0007 Å
• α: 90°
• β: 101.928 ± 0.003°
• γ: 90°
• Cell volume: 6443.8 ± 0.3 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No