Information card for entry 7061026

Structure parameters

• Formula: C28 H28 Dy N13 O5 S3
• Calculated formula: C26 H20 Dy N13 O3 S3
• SMILES: [Dy]1234([N](=Cc5[n]2cccc5)N=C(O1)c1cnccn1)(OC(=N[N]3=Cc1[n]4cccc1)c1nccnc1)(N=C=S)(N=C=S)N=C=S.OC
• Title of publication: A quasilinear hydrazone-based mononuclear dysprosium compound with C4v symmetry exhibiting field-induced complex magnetic relaxation
• Authors of publication: Chen, Peiqiong; Sun, Xiao; Guo, Xuefeng; Liu, Dan; Liu, Hou-Ting; Lu, Jing; Tian, Haiquan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 21708 - 21715
• a: 13.7368 ± 0.0005 Å
• b: 17.5335 ± 0.0007 Å
• c: 31.0162 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7470.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 0.626
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No