Information card for entry 7037227

Structure parameters

• Formula: C46 H52 Dy N9 O12
• Calculated formula: C46 H52 Dy N9 O12
• SMILES: [NH+](CC)(CC)CC.[C@H]12[C@@H](CCCC1)[N]1=Cc3c(c(ccc3)N(=O)=O)O[Dy]34561([N]2=Cc1c(c(ccc1)N(=O)=O)O4)[N](=Cc1c(c(ccc1)N(=O)=O)O5)[C@H]1[C@@H](CCCC1)[N]3=Cc1c(c(ccc1)N(=O)=O)O6
• Title of publication: Homochiral mononuclear Dy-Schiff base complexes showing field-induced double magnetic relaxation processes.
• Authors of publication: Ren, Min; Xu, Zhong-Li; Wang, Ting-Ting; Bao, Song-Song; Zheng, Ze-Hua; Zhang, Zai-Chao; Zheng, Li-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 690 - 695
• a: 30.53 ± 0.003 Å
• b: 19.2182 ± 0.0013 Å
• c: 21.851 ± 0.003 Å
• α: 90°
• β: 132.931 ± 0.002°
• γ: 90°
• Cell volume: 9387 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No