Information card for entry 1563664

Structure parameters

• Formula: C55 H49 F18 Gd N4 O12
• Calculated formula: C55 H49 F18 Gd N4 O12
• SMILES: [Gd]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)([O]=[N]1C(=N(=O)C(C1(C)C)(C)C)c1ccc(OCc2ccccc2)cc1)[O]=[N]1C(=N(=O)C(C1(C)C)(C)C)c1ccc(OCc2ccccc2)cc1
• Title of publication: Two tri-spin complexes based on gadolinium and nitronyl nitroxide radicals: Structure and ferromagnetic interactions
• Authors of publication: Zhou, Na; Ma, Yue; Wang, Chao; Xu, Gong-Feng; Tang, Jinkui; Yan, Shi-Ping; Liao, Dai-Zheng
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 4
• Pages of publication: 927 - 932
• a: 12.247 ± 0.002 Å
• b: 15.908 ± 0.003 Å
• c: 17.43 ± 0.003 Å
• α: 72.38 ± 0.03°
• β: 73.68 ± 0.03°
• γ: 77.39 ± 0.03°
• Cell volume: 3072.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No