Information card for entry 7705818

Structure parameters

• Formula: C49 H51 Dy N5 O9
• Calculated formula: C49 H51 Dy N5 O9
• SMILES: [Dy]123456([O]=C(c7ccc(OC)cc7)C=C(O1)c1ccc(OC)cc1)[O]=c1n(C[N]6(CC[N]3(Cc3[n]5cccc3)Cc3cc(cc(c3O2)C=O)C)Cc2[n]4cccc2)cc(cc1C=O)C.OC
• 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: 29.3867 ± 0.0004 Å
• b: 15.1448 ± 0.0002 Å
• c: 21.454 ± 0.0003 Å
• α: 90°
• β: 101.164 ± 0.001°
• γ: 90°
• Cell volume: 9367.5 ± 0.2 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: 0.0633
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No