Information card for entry 7037555

Structure parameters

• Formula: C32 H33 Cl Dy N3 Na O8 P
• Calculated formula: C32 H33 Cl Dy N3 Na O8 P
• SMILES: [Dy]12345([O]6c7c8C=[N]3CC[NH]4CC[N]2=Cc2c3[O]1[Na]6([O](c7ccc8)C)([O](C)c3ccc2)[O]=P(O5)(Oc1ccccc1)Oc1ccccc1)Cl
• Title of publication: Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.
• Authors of publication: Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 20834 - 20838
• a: 22.2015 ± 0.0014 Å
• b: 8.3733 ± 0.0005 Å
• c: 36.918 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6863 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No