Information card for entry 4308363

Structure parameters

• Formula: C16 H64 As4 Mn3 N16 S10
• Calculated formula: C16 H64 As4 Mn3 N16 S10
• SMILES: [Mn]123(S[As](=S)([S-])S1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[Mn]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[Mn]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[As]1([S-])S[As]([S-])S[As]([S-])S1
• Title of publication: Incorporating Transition Metal Complexes into Tetrathioarsenates(V): Syntheses, Structures, and Properties of Two Unprecedented [Mn(dien)2]n[Mn(dien)AsS4]2n·4nH2O and [Mn(en)3]2[Mn(en)2AsS4][As3S6]
• Authors of publication: Fu, Ming-Lai; Guo, Guo-Cong; Cai, Li-Zhen; Zhang, Zhang-Jing; Huang, Jin-Shun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 184 - 186
• a: 24.3057 ± 0.001 Å
• b: 16.2398 ± 0.0009 Å
• c: 15.8639 ± 0.0008 Å
• α: 90°
• β: 129.082 ± 0.001°
• γ: 90°
• Cell volume: 4860.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No