Information card for entry 1564058

Structure parameters

• Formula: C28 H21 F18 Gd N3 O9
• Calculated formula: C28 H21 F18 Gd N3 O9
• Title of publication: Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties
• Authors of publication: Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 512
• Pages of publication: 119867
• a: 12.552 ± 0.003 Å
• b: 18.502 ± 0.004 Å
• c: 16.782 ± 0.003 Å
• α: 90°
• β: 95.72 ± 0.03°
• γ: 90°
• Cell volume: 3878 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No