Information card for entry 7208332

Structure parameters

• Formula: C1.5 H6 As5 N S8
• Calculated formula: C1.5 H6 As5 N S8
• Title of publication: pH-induced solvothermal synthesis and characterization of two novel thioarsenate compounds: Three-dimensional (1,2-pdaH2)0.5As5S8 containing ψ-As(iii)S4 and two-dimensional (NH4)2As8S13
• Authors of publication: Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 4959
• a: 14.07 ± 0.004 Å
• b: 15.3 ± 0.004 Å
• c: 27.431 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5905 ± 3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No