Information card for entry 4339011

Structure parameters

• Formula: C24 H20 As2 Cl2 S4
• Calculated formula: C24 H20 As2 Cl2 S4
• SMILES: S1[As](Cl)SCc2c3cccc(CS[As](SCc4c5cccc(C1)c5ccc4)Cl)c3ccc2
• Title of publication: Diastereoselectivity in the self-assembly of As2L2Cl2 macrocycles is directed by the As-pi interaction.
• Authors of publication: Cangelosi, Virginia M.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9278 - 9284
• a: 6.813 ± 0.004 Å
• b: 19.085 ± 0.012 Å
• c: 10.277 ± 0.006 Å
• α: 90°
• β: 107.788 ± 0.01°
• γ: 90°
• Cell volume: 1272.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No