Information card for entry 7018153

Structure parameters

• Formula: C126 H112 Dy4 N4 O34
• Calculated formula: C126 H112 Dy4 N4 O34
• SMILES: O1C(c2ccccc2)=[O][Dy]234(OC(c5ccccc5)=[O][Dy]561(OC(=[O]6)c1ccccc1)([O]=C(c1ccccc1)O[Dy]16([O]=C(O[Dy]789([N](=Cc%10c(c(cc(c%10)C)/C=N/Cc%10occc%10)[OH]8)Cc8occc8)([O]=C(O9)c8ccccc8)([O]=C(O7)c7ccccc7)[O]=C(c7ccccc7)O1)c1ccccc1)(OC(=[O]6)c1ccccc1)([O]=C(O5)c1ccccc1)([OH]C)[OH]C)([OH]C)[OH]C)([N](=Cc1c(c(cc(c1)C)/C=N/Cc1occc1)[OH]2)Cc1ccco1)([O]=C(O3)c1ccccc1)[O]=C(O4)c1ccccc1
• Title of publication: Steric hindrances create a discrete linear Dy(4) complex exhibiting SMM behaviour.
• Authors of publication: Lin, Shuang-Yan; Zhao, Lang; Ke, Hongshan; Guo, Yun-Nan; Tang, Jinkui; Guo, Yang; Dou, Jianmin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 11
• Pages of publication: 3248 - 3252
• a: 15.3812 ± 0.001 Å
• b: 15.612 ± 0.001 Å
• c: 15.9042 ± 0.0011 Å
• α: 111.353 ± 0.001°
• β: 97.807 ± 0.001°
• γ: 118.466 ± 0.001°
• Cell volume: 2895.1 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No