Information card for entry 7041324

Structure parameters

• Formula: C64 H58 Dy2 N4 O12
• Calculated formula: C64 H58 Dy2 N4 O12
• SMILES: c12c3c(ccc1)[O](C)[Dy]1456([O]3[Dy]378([N](=C2)c2ccccc2O3)(OC(=CC(=[O]8)c2ccccc2)c2ccccc2)([O]=CN(C)C)[O]5c2c(cccc2[O]7C)C=[N]4c2ccccc2O6)(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)[O]=CN(C)C
• Title of publication: Transitions of two magnetic interaction states in dinuclear Dy(iii) complexes via subtle structural variations.
• Authors of publication: Zhang, Kun; Liu, Dan; Vieru, Veacheslav; Hou, Lei; Cui, Bin; Guo, Fu-Sheng; Chibotaru, Liviu F.; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 638 - 642
• a: 11.2804 ± 0.0002 Å
• b: 15.7016 ± 0.0003 Å
• c: 15.5827 ± 0.0003 Å
• α: 90°
• β: 95.7601 ± 0.0018°
• γ: 90°
• Cell volume: 2746.08 ± 0.09 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No