Information card for entry 7056538

Structure parameters

• Formula: C172 H170 Cu2 Dy2 N8 Ni2 O34
• Calculated formula: C172 H170 Cu2 Dy2 N8 Ni2 O34
• SMILES: [N]12O[Ni]345([N]6=Cc7cc(cc8C=[N](O)[Cu]9([N](O[Ni]%10%11%12([N]%13=Cc%14cc(cc%15C=[N]([Cu]2([OH]C)([O]%11c%14%15)[O]%12c2c(C=1)cc(cc2C=[N]%10CCC%13)C)O)C)[OH]C)=Cc1cc(cc(C=[N]3CCC6)c1[O]59)C)([O]4c78)[OH]C)C)[OH]C.O1C(=CC(=[O][Dy]2341(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)(OC(=CC(=[O]3)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)C=C(c1ccccc1)O4)c1ccccc1)c1ccccc1.CO.CO.OC.O1C(=CC(=[O][Dy]2341(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)(OC(=CC(c1ccccc1)=[O]3)c1ccccc1)[O]=C(c1ccccc1)C=C(c1ccccc1)O4)c1ccccc1)c1ccccc1.CO.CO.CO
• Title of publication: Synthesis, structures and magnetism of heterotrimetallic Ni-Cu-Ln complexes based on a dicompartmental imine-oxime ligand
• Authors of publication: Zhu, Zhao-Xia; Cai, Li-Zheng; Deng, Xiao-Wei; Zhou, Yanling; Yao, Min-Xia
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 17.2908 ± 0.0017 Å
• b: 22.264 ± 0.002 Å
• c: 21.455 ± 0.002 Å
• α: 90°
• β: 103.966 ± 0.007°
• γ: 90°
• Cell volume: 8015.2 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No