Information card for entry 7705817

Structure parameters

• Formula: C49 H47 Dy N4 O8
• Calculated formula: C49 H47 Dy N4 O8
• SMILES: [Dy]123456(Oc7c(C=O)cc(cc7C[N]5(CC[N]4(Cc4[n]3cccc4)Cc3c(O2)c(C=O)cc(c3)C)Cc2[n]6cccc2)C)OC(=CC(=[O]1)c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Solvent responses and substituent effects upon magnetic properties of mononuclear Dy^III compounds.
• Authors of publication: Zhang, Sheng; Shen, Nan; Zhang, Jiangwei; Xu, Fang; Zhang, Jin; Tang, Jiamin; Hu, Dengwei; Yin, Bing; Chen, Sanping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 624 - 637
• a: 31.8697 ± 0.0005 Å
• b: 10.4652 ± 0.0002 Å
• c: 32.215 ± 0.0005 Å
• α: 90°
• β: 115.13 ± 0.002°
• γ: 90°
• Cell volume: 9727.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No