Information card for entry 7242161

Structure parameters

• Formula: C28 H24 Cl3 N2 O5 Tb
• Calculated formula: C28 H24 Cl3 N2 O5 Tb
• SMILES: [Tb]123(Cl)(Cl)(Cl)[O](c4cccc(c4O1)C=[NH+]c1c(Oc4c([NH+]=Cc5c(O3)c([O]2C)ccc5)cccc4)cccc1)C
• 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: 8.1546 ± 0.0005 Å
• b: 12.2361 ± 0.0007 Å
• c: 14.7108 ± 0.0008 Å
• α: 101.392 ± 0.002°
• β: 90.257 ± 0.002°
• γ: 98.318 ± 0.002°
• Cell volume: 1422.97 ± 0.14 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299.12 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: 0.0479
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No