Information card for entry 7028490

Structure parameters

• Common name: {[Mn(2-2'bipy)2(SCN)]2(AsIII2S6)}
• Chemical name: {[Mn(2-2'bipy)2(SCN)]2(AsIII2S6)}
• Formula: C42 H32 As2 Mn2 N10 S8
• Calculated formula: C42 H32 As2 Mn2 N10 S8
• SMILES: S([As]1SS[As](S[Mn]23([n]4ccccc4c4cccc[n]24)([n]2ccccc2c2cccc[n]32)N=C=S)SS1)[Mn]12([n]3ccccc3c3cccc[n]13)([n]1ccccc1c1[n]2cccc1)N=C=S
• Title of publication: Novel thioarsenates {[Mn(2,2'-bipy)2(SCN)][Mn(2,2'-bipy)](As(V)S4)}2 and {[Mn(2,2'-bipy)2(SCN)]2[As(III)2(S2)2S2]}: introducing an anionic second ligand to modify Mn(II) complex cations of 2,2'-bipyridine.
• Authors of publication: Liu, Guang-Ning; Guo, Guo-Cong; Wang, Ming-Sheng; Huang, Jin-Shun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 3931 - 3938
• a: 8.7703 ± 0.0012 Å
• b: 10.0337 ± 0.0013 Å
• c: 13.5967 ± 0.0017 Å
• α: 81.461 ± 0.01°
• β: 89.595 ± 0.011°
• γ: 87.716 ± 0.011°
• Cell volume: 1182.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No