Information card for entry 7706476

Structure parameters

• Formula: C79 H49 Cl3 Cu2 Dy2 F60 N12 O26
• Calculated formula: C79 H49 Cl3 Cu2 Dy2 F60 N12 O26
• Title of publication: Multifunctional properties of {CuLn} systems involving nitrogen-rich nitronyl nitroxide: single-molecule magnet behavior, luminescence, magnetocaloric effects and heat capacity.
• Authors of publication: Li, Hongdao; Jing, Pei; Lu, Jiao; Xi, Lu; Wang, Qi; Ding, Lifeng; Wang, Wen-Min; Song, Zhenjun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 2854 - 2863
• a: 12.116 ± 0.002 Å
• b: 15.903 ± 0.003 Å
• c: 16.525 ± 0.003 Å
• α: 66.76 ± 0.03°
• β: 82.8 ± 0.03°
• γ: 76.92 ± 0.03°
• Cell volume: 2847.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2283
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No