Information card for entry 7228718

Structure parameters

• Formula: C7 H6 Al As Cl4 S2
• Calculated formula: C7 H6 Al As Cl4 S2
• Title of publication: Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels
• Authors of publication: Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 11.472 ± 0.0007 Å
• b: 7.0562 ± 0.0005 Å
• c: 17.819 ± 0.002 Å
• α: 90°
• β: 102.135 ± 0.003°
• γ: 90°
• Cell volume: 1410.2 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2281
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No