Information card for entry 7028475

Structure parameters

• Formula: C9 H45 As5 Cl In N9 S17
• Calculated formula: C9 H45 As5 Cl In N9 S17
• Title of publication: (enH2)4.5[In(As(V)S4)3][As2(III)(μ-S2)S3]Cl and (enH2)MnAs(III)As(V)S6: two thioarsenates(iii, v) with mixed-valent optical properties.
• Authors of publication: Du, Ke-Zhao; Feng, Mei-Ling; Qi, Xing-Hui; Ma, Zu-Ju; Li, Long-Hua; Li, Jian-Rong; Du, Cheng-Feng; Zou, Guo-Dong; Huang, Xiao-Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2733 - 2736
• a: 12.2025 ± 0.0003 Å
• b: 12.224 ± 0.0003 Å
• c: 14.8497 ± 0.0003 Å
• α: 92.36 ± 0.002°
• β: 91.777 ± 0.002°
• γ: 95.691 ± 0.002°
• Cell volume: 2200.87 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No