Information card for entry 7705816

Structure parameters

• Formula: C53 H55 Dy N4 O10
• Calculated formula: C53 H55 Dy N4 O10
• SMILES: [Dy]123456(Oc7c(cc(C)cc7C[N]3(Cc3[n]6cccc3)CC[N]4(Cc3[n]5cccc3)Cc3c(O1)c(cc(c3)C)C=O)C=O)OC(=CC(=[O]2)c1ccc(OC)cc1)c1ccc(OC)cc1.O1CCOCC1
• 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: 16.7403 ± 0.0002 Å
• b: 10.2716 ± 0.0002 Å
• c: 28.7185 ± 0.0004 Å
• α: 90°
• β: 95.079 ± 0.001°
• γ: 90°
• Cell volume: 4918.75 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No