Information card for entry 7231393

Structure parameters

• Formula: C42 H23 Cl3 Dy F9 N2 O6
• Calculated formula: C42 H23 Cl3 Dy F9 N2 O6
• Title of publication: Experimental and theoretical interpretation of the magnetic behavior of two Dy(iii) single-ion magnets constructed through β-diketonate ligands with different substituent groups (‒Cl/‒OCH3)
• Authors of publication: Zhang, Sheng; Mo, Wenjiao; Zhang, Jiangwei; Wu, Haipeng; Li, Min; Lü, Xingqiang; Yin, Bing; Yang, Desuo
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 52
• Pages of publication: 29513
• a: 11.5704 ± 0.0011 Å
• b: 12.1367 ± 0.0011 Å
• c: 15.4949 ± 0.0013 Å
• α: 98.652 ± 0.007°
• β: 100.231 ± 0.008°
• γ: 102.305 ± 0.008°
• Cell volume: 2051.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No