Information card for entry 4131768

Structure parameters

• Formula: C24 H60 Bi2 N4 O2 S3 Si4
• Calculated formula: C24 H60 Bi2 N4 O2 S3 Si4
• SMILES: O1[Si](C)(C)N([Bi](N(C(C)(C)C)[Si]1(C)C)SSS[Bi]1N(C(C)(C)C)[Si](O[Si](C)(C)N1C(C)(C)C)(C)C)C(C)(C)C
• 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: 13.4362 ± 0.0005 Å
• b: 10.8026 ± 0.0004 Å
• c: 28.5609 ± 0.0008 Å
• α: 90°
• β: 92.026 ± 0.003°
• γ: 90°
• Cell volume: 4142.9 ± 0.2 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No