Information card for entry 4317807

Structure parameters

• Common name: [Cu(salen)Gd(pta)3]
• Chemical name: [N,N'-ethylenebis(salicylideniminato)copper(II)]tris(5,5-dimethyl-1,1 ,1-trifluoro-2,4-hexanedionato)gadolinium(III)
• Formula: C40 H44 Cu F9 Gd N2 O8
• Calculated formula: C40 H44 Cu F9 Gd N2 O8
• SMILES: [Gd]1234([O]5[Cu]67[O]1c1ccccc1C=[N]7CC[N]6=Cc1c5cccc1)([O]=C(C(F)(F)F)C=C(O3)C(C)(C)C)([O]=C(C(F)(F)F)C=C(O4)C(C)(C)C)[O]=C(C(F)(F)F)C=C(O2)C(C)(C)C
• Title of publication: Magnetically Isolated CuIIGdIII Pairs in the Series [Cu(acacen)Gd(pta)3], [Cu(acacen)Gd(hfa)3], [Cu(salen)Gd(pta)3], and [Cu(salen)Gd(hfa)3], [acacen =N,N'-Ethylenebis(acetylacetoniminate(-)), salen =N,N'-Ethylenebis(salicylideniminate(-)), hfa = 1,1,1,5,5,5-Hexafluoropentane-2,4-dionate(-), pta = 1,1,1-Trifluoro-5,5-dimethylhexane-2,4-dionate(-)]
• Authors of publication: M. Ryazanov; V. Nikiforov; F. Lloret; M. Julve; N. Kuzmina; A. Gleizes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1816 - 1823
• a: 9.8616 ± 0.001 Å
• b: 12.1976 ± 0.0013 Å
• c: 18.419 ± 0.002 Å
• α: 90.671 ± 0.014°
• β: 100.588 ± 0.013°
• γ: 103.684 ± 0.012°
• Cell volume: 2112.5 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No