Information card for entry 7055057

Structure parameters

• Formula: C23 H32 Dy N5 Ni O17
• Calculated formula: C23 H32 Dy N5 Ni O17
• SMILES: [Dy]123456([O]7[Ni]89([N](=Cc%10c7c(ccc%10)[O]1C)OCCO[N]8=Cc1cccc(c1[O]29)[O]4C)(ON(=O)=[O]3)[OH]C)(ON(=O)=[O]5)[O]=N(=O)O6.CCOCC
• Title of publication: Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue
• Authors of publication: Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 8356
• a: 10.0241 ± 0.0017 Å
• b: 12.042 ± 0.002 Å
• c: 15.27 ± 0.003 Å
• α: 71.869 ± 0.002°
• β: 86.592 ± 0.003°
• γ: 68.157 ± 0.002°
• Cell volume: 1622.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No