Information card for entry 7704800

Structure parameters

• Formula: C41 H56 Cl2 Dy2 N8 O13
• Calculated formula: C41 H56 Cl2 Dy2 N8 O13
• SMILES: [Dy]1234567(Oc8c(C=[N]5N=C5[O]3[Dy]39%10%11%12(Cl)([O]1C(=N[N]%11=Cc1c(O3)c(OC)ccc1)c1[n]7c(C[N]6(CC[OH]4)CC[OH]2)ccc1)[OH]CC[N]%12(Cc1[n]%10c5ccc1)CC[OH]9)cccc8OC)[OH]C.[Cl-].OC.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: 10.7089 ± 0.0004 Å
• b: 28.6894 ± 0.0012 Å
• c: 15.6149 ± 0.0006 Å
• α: 90°
• β: 105.994 ± 0.002°
• γ: 90°
• Cell volume: 4611.7 ± 0.3 ų
• Cell temperature: 173 ± 2 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: 0.0454
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No