Information card for entry 7028489

Structure parameters

• Common name: {[Mn(bipy)2(SCN)][Mn(bipy)](AsS4)}2
• Chemical name: {[Mn(bipy)2(SCN)][Mn(bipy)](AsS4)}2
• Formula: C62 H48 As2 Mn4 N14 S10
• Calculated formula: C62 H48 As2 Mn4 N14 S10
• SMILES: S1[As]2(=[S][Mn]34([n]5ccccc5c5cccc[n]35)([n]3ccccc3c3[n]4cccc3)N=C=S)S[Mn]345([S]2[Mn]261([n]1c(c7[n]2cccc7)cccc1)[S]=[As](S3)(S[Mn]12([n]3ccccc3c3cccc[n]13)([n]1ccccc1c1cccc[n]21)N=C=S)[S]46)[n]1ccccc1c1cccc[n]51
• 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: 8.8914 ± 0.0014 Å
• b: 10.6839 ± 0.0018 Å
• c: 19.448 ± 0.003 Å
• α: 77.252 ± 0.013°
• β: 86.528 ± 0.013°
• γ: 71.081 ± 0.012°
• Cell volume: 1704.5 ± 0.5 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: 0.1147
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No