Information card for entry 7243878

Structure parameters

• Formula: C39 H48 Cl2 Dy N9 O4
• Calculated formula: C39 H48 Cl2 Dy N9 O4
• SMILES: [Dy]123(Cl)(Cl)(Oc4c(n5[n]2c2ccccc2n5)cc(cc4C[NH+](Cc2c(O1)c(n1[n]3c3ccccc3n1)cc(c2)C)CCN(C)C)C)[O]=CN(C)C.O1CCCC1
• Title of publication: Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization
• Authors of publication: Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 47
• Pages of publication: 8343 - 8350
• a: 12.765 ± 0.0007 Å
• b: 12.8233 ± 0.0008 Å
• c: 14.6204 ± 0.0008 Å
• α: 76.975 ± 0.005°
• β: 64.278 ± 0.005°
• γ: 68.218 ± 0.006°
• Cell volume: 1996.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 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: 0.0455
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No