Information card for entry 7021177

Structure parameters

• Formula: C96 H112 N5 Ni5 O35 Y3
• Calculated formula: C96 H103 N5 Ni5 O35 Y3
• SMILES: [Y]123456([OH]7[Y]89%10%11([OH]1[Ni]1%12%13([N](c%14c([O]21[Ni]127([N](=Cc7c(O1)cccc7)c1ccccc1[O]28%12)[O]=C(O9)c1ccccc1)cccc%14)=Cc1ccccc1O%13)[OH]C)([O]1[Ni]278([OH]%10[Y]9%10%12([OH]3[Ni]3%13%14([N](c%15c([O]93[Ni]39([N](=Cc%16c(O3)cccc%16)c3ccccc3[O]4%139)([OH]6%12)[O]=C(O2)c2ccccc2)cccc%15)=Cc2ccccc2O%14)[O]=C(O%10)c2ccccc2)([O]%115C)([O]7c2c([N]8=Cc3c1cccc3)cccc2)[OH]C)[OH]C)[OH]C)[OH2].OC.OC.OC.O.OC.O.OC.O
• Title of publication: Heterometallic octanuclear RE(III)3Ni(II)5 (RE = Dy(III), Gd(III) and Y(III)) clusters with slow magnetic relaxation for the dysprosium derivative.
• Authors of publication: Wang, Huiyu; Ke, Hongshan; Lin, Shuang-Yan; Guo, Yang; Zhao, Lang; Tang, Jinkui; Li, Yun-Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5298 - 5303
• a: 14.1844 ± 0.0008 Å
• b: 16.7095 ± 0.0009 Å
• c: 24.7467 ± 0.0014 Å
• α: 90.403 ± 0.001°
• β: 101.487 ± 0.001°
• γ: 111.234 ± 0.001°
• Cell volume: 5337.5 ± 0.5 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.1642
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2262
• Weighted residual factors for all reflections included in the refinement: 0.2783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No