Information card for entry 7043624

Structure parameters

• Common name: [(NIT-2-Pm)Tb(hfac)3]0.5(C7H16)
• Formula: C29.5 H26 F18 N4 O8 Tb
• Calculated formula: C26 H18 F18 N4 O8 Tb
• Title of publication: Syntheses, Structures and Magnetic Properties of Lanthanide Complexes of the Pyrimidyl-Substituted Nitronyl Nitroxide Radical
• Authors of publication: Wang, Jian; Miao, Hao; Xiao, Zhao-Xin; Zhou, Yan; Deng, Lin-Dan; Zhang, Yiquan; Wang, Xin-Yi
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 16.4875 ± 0.0007 Å
• b: 12.5863 ± 0.0006 Å
• c: 21.1614 ± 0.0009 Å
• α: 90°
• β: 109.531 ± 0.001°
• γ: 90°
• Cell volume: 4138.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No