Information card for entry 7023620

Structure parameters

• Formula: C66 H60 Dy2 N6 O15
• Calculated formula: C66 H60 Dy2 N6 O15
• SMILES: COc1cccc2c1O[Dy]13456(Oc7c(C=[N]5c5c(cccc5)[N]4=C2)cccc7OC)[O]2c4c(cccc4C=[N]6c4ccccc4[N]3=Cc3cccc4c3[O]1[Dy]1352([O]4C)(Oc2c(cccc2C=[N]3c2ccccc2[N]5=Cc2cccc(c2O1)OC)OC)[OH2])OC.O.O
• Title of publication: Mixed (phthalocyaninato)(Schiff-base) di-dysprosium sandwich complexes. Effect of magnetic coupling on the SMM behavior.
• Authors of publication: Wang, Hailong; Liu, Chenxi; Liu, Tao; Zeng, Suyuan; Cao, Wei; Ma, Qi; Duan, Chunying; Dou, Jianmin; Jiang, Jianzhuang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 43
• Pages of publication: 15355 - 15360
• a: 21.773 ± 0.01 Å
• b: 12.4264 ± 0.0008 Å
• c: 23.7209 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6418 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No