Information card for entry 1561603

Structure parameters

• Formula: C12 H40 As2 Mn3 N8 S8
• Calculated formula: C12 H40 As2 Mn3 N8 S8
• SMILES: [As]1(=S)([S-])S[Mn]2([NH2]C[C@H]([NH2]2)C)S[As]2(=S)S[Mn]3(S1)([NH2]C[C@@H]([NH2]3)C)S[As]1(=S)S[Mn]3(S2)([NH2]C[C@H]([NH2]3)C)S[As]([S-])(=S)S[Mn]2(S1)[NH2]C[C@@H]([NH2]2)C.[Mn]12([NH2]C[C@H]([NH2]2)C)[NH2][C@@H](C)C[NH2]1.[Mn]12([NH2]C[C@H]([NH2]2)C)[NH2][C@@H](C)C[NH2]1
• Title of publication: Unsaturated Mn complex decorated hybrid thioarsenates: Syntheses, crystal structures and physical properties
• Authors of publication: Yue, Cheng-Yang; Lei, Xiao-Wu; Tian, Ya-Wei; Xu, Jing; Bai, Yi-Qun; Wang, Fei; Zhou, Peng-Fei; Liu, Xiao-Fan; Yi, Fei-Yan
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 235
• Pages of publication: 183 - 192
• a: 6.9653 ± 0.0005 Å
• b: 10.4907 ± 0.0008 Å
• c: 10.9343 ± 0.0008 Å
• α: 86.688 ± 0.001°
• β: 87.022 ± 0.001°
• γ: 87.187 ± 0.001°
• Cell volume: 795.72 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No