Information card for entry 4119240

Structure parameters

• Formula: As4 H32 Mn2 N8 S16
• Calculated formula: As4 H32 Mn2 N8 S16
• SMILES: [NH4+].[NH4+].[NH4+].[NH4+].[NH4+].S1[As]2(=S)S[Mn]345([S]2[Mn]261(S[As](=S)([S]32)S4)S[As](S6)(=S)[S-])S[As](S5)(=S)[S-].[NH4+].[NH4+].[NH4+]
• Title of publication: Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework
• Authors of publication: Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 1256 - 1259
• a: 9.2086 ± 0.0004 Å
• b: 8.8211 ± 0.0004 Å
• c: 20.7793 ± 0.001 Å
• α: 90°
• β: 96.047 ± 0.002°
• γ: 90°
• Cell volume: 1678.51 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No