Information card for entry 4501765

Structure parameters

• Formula: C20 H24 As2 Cl2 S4
• Calculated formula: C20 H24 As2 Cl2 S4
• SMILES: S1[As](Cl)SCCc2ccc(cc2)CCS[As](SCCc2ccc(cc2)CC1)Cl
• Title of publication: Design Considerations for the Group 15 Elements: The Pnictogen···π Interaction As a Complementary Component in Supramolecular Assembly Design
• Authors of publication: Cangelosi, Virginia M.; Pitt, Melanie A.; Vickaryous, W. Jake; Allen, Corinne A.; Zakharov, Lev N.; Johnson, Darren W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 3531
• a: 8.8381 ± 0.0009 Å
• b: 11.7662 ± 0.0012 Å
• c: 23.36 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2429.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No