Information card for entry 7237044

Structure parameters

• Formula: C100 H72 Cu2 F60 Gd2 N10 O30
• Calculated formula: C100 H72 Cu2 F60 Gd2 N10 O30
• Title of publication: Single-molecule magnet behavior in a CuII-decorated {DyIII2} complex with nitronyl nitroxide biradicals
• Authors of publication: Li, Hongdao; Sun, Zan; Sun, Juan; Xi, Lu; Guo, Jianni; Sun, Guifang; Xie, Jing; Ma, Yue; Li, Licun
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 2060
• a: 15.298 ± 0.003 Å
• b: 15.4393 ± 0.0011 Å
• c: 16.307 ± 0.002 Å
• α: 67.667 ± 0.012°
• β: 87.938 ± 0.016°
• γ: 65.82 ± 0.01°
• Cell volume: 3217.2 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No