Information card for entry 4325427

Structure parameters

• Formula: C36 H26 As2 Mn3 O S7 n6
• Calculated formula: C36 H26 As2 Mn3 N6 O S7
• Title of publication: Stabilization of noncondensed (AsIIIS3)3- Anions by Coordinating to [MnII(phen)]2+ Complex Cations: a Mixed-Valent Thioarsenate (III, V) {[Mn(phen)]3(AsVS4)(AsIIIS3)}n.nH2O Showing the Coexistence of Antiferromagnetic Order, Photoluminescence, and nonlinear Optical Properties
• Authors of publication: Guang-Ning Liu; Xiao-Ming Jiang; Mei-Feng Wu; Guan-E Wang; Guo-Cong Guo; Jin-Shun Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5740 - 5746
• a: 9.478 ± 0.004 Å
• b: 20.23 ± 0.009 Å
• c: 10.652 ± 0.005 Å
• α: 90°
• β: 96.111 ± 0.009°
• γ: 90°
• Cell volume: 2030.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No