Information card for entry 7043627

Structure parameters

• Common name: [(NIT-2-Pm)(Er)2(hfac)6(H2O)2]0.5(C7H16)
• Formula: C44.5 H33 Er2 F36 N4 O16
• Calculated formula: C41 H25 Er2 F36 N4 O16
• 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: 27.4821 ± 0.0007 Å
• b: 24.3232 ± 0.0007 Å
• c: 22.921 ± 0.0006 Å
• α: 90°
• β: 122.31°
• γ: 90°
• Cell volume: 12949.3 ± 0.6 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: 0.0661
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No