Information card for entry 7006352

Structure parameters

• Formula: C68 H38 Cl6 F12 Mn N4 O4 S2
• Calculated formula: C68 H38 Cl6 F12 Mn N4 O4 S2
• SMILES: FC(F)(F)C1=[O][Mn]2([n]3ccc(S[N]c4c(cc(cc4c4ccc(Cl)cc4)c4ccc(cc4)Cl)c4ccc(cc4)Cl)cc3)([n]3ccc(S[N]c4c(cc(cc4c4ccc(cc4)Cl)c4ccc(cc4)Cl)c4ccc(cc4)Cl)cc3)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)OC(=C1)C(F)(F)F
• Title of publication: Syntheses and magnetic properties of Cu(II)(hfac)2 and Mn(II)(hfac)2 complexes of 4-pyridyl-substituted thioaminyl radicals.
• Authors of publication: Miura, Yozo; Kato, Ikumi; Teki, Yoshio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 7
• Pages of publication: 961 - 966
• a: 19.95 ± 0.002 Å
• b: 6.1 ± 0.0004 Å
• c: 29.27 ± 0.003 Å
• α: 90°
• β: 111.16 ± 0.004°
• γ: 90°
• Cell volume: 3321.8 ± 0.5 ų
• Cell temperature: 223.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No