Information card for entry 4317487

Structure parameters

• Formula: C44 H20 F24 Fe Mn2 N6 O12
• Calculated formula: C44 H20 F24 Fe Mn2 N6 O12
• SMILES: [Mn]123([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)[O]=C([N]1=C(O3)c2[n]3cccc2)c2[n](cccc2)[Fe]1234[n]1ccccc1C(=[N]2C(=[O]1)c2[n]4cccc2)O[Mn]123(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F
• Title of publication: Syntheses, Structures, and Properties of Trinuclear Complexes [M(bpca)2{M'(hfac)2}2], Constructed with the Complexed Bridging Ligand [M(bpca)2] [M, M' = Ni(II), Mn(II); Cu(II), Mn(II); Fe(II), Mn(II); Ni(II), Fe(II); and Fe(II), Fe(II); Hbpca = Bis(2-pyridylcarbonyl)amine, Hhfac = Hexafluoroacetylacetone]
• Authors of publication: Asako Kamiyama; Tomoko Noguchi; Takashi Kajiwara; Tasuku Ito
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 507 - 512
• a: 16.6214 ± 0.001 Å
• b: 20.0138 ± 0.0013 Å
• c: 16.2297 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5398.9 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No