Information card for entry 7704799

Structure parameters

• Formula: C49 H65 Cl Dy2 F3 N11 O15
• Calculated formula: C49 H65 Cl Dy2 F3 N11 O15
• SMILES: [Dy]12345678[O]9[Dy]%10%11%12%13%14([O]1C(=N[N]6=Cc1c(O2)c(OC)ccc1)c1[n]%14c(C[N]%13(CC[OH]%10)CC[OH]%11)ccc1)(Oc1c(C=[N]%12N=C9c2[n]8c(C[N]7(CC[OH]5)CC[OH]3)ccc2)cccc1OC)[O]=C(O4)C(F)(F)F.[Cl-].O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: An investigation into the magnetic interactions in a series of Dy₂ single-molecule magnets.
• Authors of publication: Jin, Chaoyi; Li, Xiao-Lei; Liu, Zhiliang; Mansikkamäki, Akseli; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 30
• Pages of publication: 10477 - 10485
• a: 17.6969 ± 0.0006 Å
• b: 15.0291 ± 0.0005 Å
• c: 22.5627 ± 0.0007 Å
• α: 90°
• β: 112.191 ± 0.002°
• γ: 90°
• Cell volume: 5556.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No