Information card for entry 7704801

Structure parameters

• Formula: C41 H51 Dy2 N9 O12 S
• Calculated formula: C41 H51 Dy2 N9 O12 S
• SMILES: [Dy]1234567([O]8[Dy]9%10%11%12%13([OH]CC[N]%13(CC[OH]%11)Cc%11[n]9c(C8=N[N]3=Cc8c(O5)c(OC)ccc8)ccc%11)([O]1C(=N[N]%12=Cc1c(O%10)c(OC)ccc1)c1[n]6c(C[N]7(CC[OH]2)CC[OH]4)ccc1)N=C=S)[OH]C.OC
• 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: 14.5797 ± 0.0006 Å
• b: 21.9434 ± 0.0009 Å
• c: 15.8475 ± 0.0007 Å
• α: 90°
• β: 116.407 ± 0.002°
• γ: 90°
• Cell volume: 4541 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No