Information card for entry 1518742

Structure parameters

• Formula: C24 H30 Cl3 S6 Sb3
• Calculated formula: C24 H30 Cl3 S6 Sb3
• SMILES: [Sb]1(Cl)SCc2c(c3c(c(c2C)CS[Sb](Cl)SCc2c(c(c(c(c2C)CS1)C)CS[Sb](Cl)SC3)C)C)C
• 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: 16.0971 ± 0.001 Å
• b: 11.4604 ± 0.0007 Å
• c: 16.3368 ± 0.001 Å
• α: 90°
• β: 91.867 ± 0.001°
• γ: 90°
• Cell volume: 3012.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0286
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No