Information card for entry 7043625

Structure parameters

• Common name: [(NIT-2-Pm)(Tb)2(hfac)6(H2O)2]0.5(C7H16)
• Formula: C44.5 H33 F36 N4 O16 Tb2
• Calculated formula: C41 H25 F36 N4 O16 Tb2
• 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: 27.622 ± 0.003 Å
• b: 24.365 ± 0.003 Å
• c: 23.015 ± 0.004 Å
• α: 90°
• β: 122.396 ± 0.001°
• γ: 90°
• Cell volume: 13079 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1153
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No