Information card for entry 7038398

Structure parameters

• Formula: C36 H29 Dy F12 N2 O8
• Calculated formula: C36 H29 Dy F12 N2 O8
• SMILES: [Dy]123(OC(=CC(C(F)(F)F)=[O]1)c1ccc(cc1)F)(OC(=CC(C(F)(F)F)=[O]2)c1ccc(cc1)F)(OC(=CC(c1ccc(cc1)F)=[O]3)C(F)(F)F)([O]=CN(C)C)[O]=CN(C)C
• Title of publication: Dysprosium(iii) complexes with a square-antiprism configuration featuring mononuclear single-molecule magnetic behaviours based on different β-diketonate ligands and auxiliary ligands.
• Authors of publication: Zhang, Sheng; Ke, Hongshan; Shi, Quan; Zhang, Jangwei; Yang, Qi; Wei, Qing; Xie, Gang; Wang, Wenyuan; Yang, Desuo; Chen, Sanping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5310 - 5320
• a: 11.2264 ± 0.0015 Å
• b: 13.5298 ± 0.0017 Å
• c: 14.1233 ± 0.0018 Å
• α: 94.868 ± 0.002°
• β: 101.031 ± 0.002°
• γ: 102.06 ± 0.002°
• Cell volume: 2041.6 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No