Information card for entry 7242332

Structure parameters

• Formula: C33 H31 Dy N6 O5
• Calculated formula: C33 H31 Dy N6 O5
• SMILES: [Dy]1234567(Oc8ccccc8C[N]4(Cc4[n]3cccc4)Cc3[n]5c(ccc3)C[N]6(Cc3[n]7cccc3)Cc3ccccc3O1)ON(=[O]2)=O
• Title of publication: Ligand field and anion-driven structures and magnetic properties of dysprosium complexes
• Authors of publication: Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 15
• Pages of publication: 2825 - 2834
• a: 16.3957 ± 0.001 Å
• b: 9.7879 ± 0.0006 Å
• c: 20.6189 ± 0.0014 Å
• α: 90°
• β: 110.783 ± 0.002°
• γ: 90°
• Cell volume: 3093.6 ± 0.3 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 ± 2 K
• Number of distinct elements: 5
• 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: 0.0185
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No