Information card for entry 7018154

Structure parameters

• Formula: C126 H112 Gd4 N4 O34
• Calculated formula: C126 H112 Gd4 N4 O34
• SMILES: O1C(=[O][Gd]23(OC(c4ccccc4)=[O][Gd]4561([N](=Cc1c(c(cc(c1)C)/C=N/Cc1occc1)[OH]4)Cc1occc1)([O]=C(O5)c1ccccc1)[O]=C(O6)c1ccccc1)(OC(=[O]2)c1ccccc1)(OC(c1ccccc1)=[O][Gd]12(OC(=[O][Gd]456([N](=Cc7c(c(cc(c7)C)/C=N/Cc7occc7)[OH]4)Cc4occc4)([O]=C(O5)c4ccccc4)([O]=C(O6)c4ccccc4)[O]=C(c4ccccc4)O1)c1ccccc1)(OC(=[O]2)c1ccccc1)([O]=C(O3)c1ccccc1)([OH]C)[OH]C)([OH]C)[OH]C)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: 15.3896 ± 0.0011 Å
• b: 15.6333 ± 0.0012 Å
• c: 15.922 ± 0.002 Å
• α: 111.269 ± 0.002°
• β: 97.922 ± 0.001°
• γ: 118.344 ± 0.001°
• Cell volume: 2908.7 ± 0.5 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0922
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No