Information card for entry 7242160

Structure parameters

• Formula: C28 H24 Cl3 Dy N2 O5
• Calculated formula: C28 H24 Cl3 Dy N2 O5
• SMILES: [Dy]123(Cl)(Cl)(Oc4c([O]2C)cccc4C=[NH+]c2c(Oc4c([NH+]=Cc5c(O1)c([O]3C)ccc5)cccc4)cccc2)Cl
• Title of publication: A seven-coordinated DyIII single-ion magnet with C2v symmetry constructed by a multidentate Schiff-base ligand
• Authors of publication: Wang, Ruirui; Yao, Binling; Bai, Feifei; Wang, Wen; Li, Licun; Ma, Yue; Wang, Qinglun; Zhao, Bin; Zhang, Yuanzhu
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 8
• Pages of publication: 1718 - 1722
• a: 8.0382 ± 0.0003 Å
• b: 12.2095 ± 0.0004 Å
• c: 14.6675 ± 0.0006 Å
• α: 101.51 ± 0.003°
• β: 90.312 ± 0.003°
• γ: 97.846 ± 0.003°
• Cell volume: 1396.56 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No