Information card for entry 1557760

Structure parameters

• Formula: C6 H11 S3 Sb
• Calculated formula: C6 H11 S3 Sb
• SMILES: [Sb]12SCC(CS1)(CS2)CC
• Title of publication: Self-assembly of reversed bilayer vesicles through pnictogen bonding: water-stable supramolecular nanocontainers for organic solvents
• Authors of publication: Moaven, Shiva; Watson, Brandon T.; Thompson, Shelby B.; Lyons, Veronica J.; Unruh, Daniel K.; Casadonte, Dominick J.; Pappas, Dimitri; Cozzolino, Anthony F.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 4374 - 4380
• a: 7.5797 ± 0.0007 Å
• b: 9.1057 ± 0.0009 Å
• c: 27.371 ± 0.003 Å
• α: 90°
• β: 95.218 ± 0.001°
• γ: 90°
• Cell volume: 1881.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No