Information card for entry 1518743

Structure parameters

• Formula: C30 H42 Cl3 S6 Sb3
• Calculated formula: C30 H42 Cl3 S6 Sb3
• SMILES: [Sb]1(Cl)SCc2c(CC)c3CS[Sb](Cl)SCc4c(c(CS1)c(c(CS[Sb](Cl)SCc(c2CC)c3CC)c4CC)CC)CC
• Title of publication: Self-assembled trinuclear arsenic and antimony macrobicycles
• Authors of publication: Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 2444
• a: 16.458 ± 0.0006 Å
• b: 16.458 ± 0.0006 Å
• c: 23.9449 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5616.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No