Information card for entry 7209863

Structure parameters

• Formula: C68 H78 Dy2 N12 O12
• Calculated formula: C68 H78 Dy2 N12 O12
• SMILES: C1=[N]2CC[N]34[Dy]56782([N](=Cc2cccc(OC)c2O5)CC[N]26CC[N]56CC[N]9=Cc%10c(c(ccc%10)OC)O[Dy]%10%11%1269([N](CC3)(C4c3cccc(OC)c3[O]8%12)CC[N]%11=Cc3cccc(OC)c3O%10)[O]7c3c(C25)cccc3OC)Oc2c(cccc12)OC.N#CC.N#CC.N#CC.N#CC
• Title of publication: Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative
• Authors of publication: Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 26
• Pages of publication: 5301
• a: 12.2399 ± 0.0005 Å
• b: 18.9948 ± 0.0008 Å
• c: 14.4502 ± 0.0006 Å
• α: 90°
• β: 95.78 ± 0.001°
• γ: 90°
• Cell volume: 3342.5 ± 0.2 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No