Information card for entry 7229858

Structure parameters

• Formula: C86 H110 Cl2 Dy6 N10 O30
• Calculated formula: C86 H110 Cl2 Dy6 N10 O30
• SMILES: C1[N]2=Cc3c(c(ccc3)OC)O[Dy]345672[O]2[Dy]89%10%11%12([N](CC1[O]38[Dy]138%132([N](=Cc2c(c(ccc2)[O]%11C)[O]%101)CC1C[N]2=Cc%10c([O]%11[Dy]%14%15%16%172([N](=Cc2c(c(ccc2)OC)O%16)CC2[O]%16%17[Dy]%17%18%19%11([N](C2)=Cc2cccc(OC)c2O%17)([O]%14[Dy]2%11%16([N](=Cc%14c(c(ccc%14)[O]%19C)[O]%182)CC(C[N]4=Cc2c([O]6%12)c(OC)ccc2)[O]7%11)([O]3%15)([O]58)[OH]C)[OH]C)[O]%131)c(OC)ccc%10)[OH]C)=Cc1cccc(OC)c1O9)[OH]C.N#CC.CO.[Cl-].N#CC.CO.[Cl-]
• Title of publication: Structure and magnetism of two chair-shaped hexanuclear dysprosium(iii) complexes exhibiting slow magnetic relaxation
• Authors of publication: Liu, Zi-Yuan; Zou, Hua-Hong; Wang, Rong; Chen, Man-Sheng; Liang, Fu-Pei
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 767
• a: 12.4846 ± 0.0003 Å
• b: 14.5722 ± 0.0002 Å
• c: 15.5223 ± 0.0002 Å
• α: 79.157 ± 0.001°
• β: 67.587 ± 0.002°
• γ: 69.131 ± 0.002°
• Cell volume: 2434.88 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No