Information card for entry 1519647

Structure parameters

• Formula: C43 H65 Dy N2 O6
• Calculated formula: C43 H65 Dy N2 O6
• SMILES: [Dy]1234([n]5ccccc5c5[n]1cccc5)(OC(=CC(=[O]2)C(C)(C)C)C(C)(C)C)(OC(=CC(=[O]3)C(C)(C)C)C(C)(C)C)OC(=CC(=[O]4)C(C)(C)C)C(C)(C)C
• Title of publication: Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?
• Authors of publication: Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 4587
• a: 11.087 ± 0.0007 Å
• b: 12.2243 ± 0.0009 Å
• c: 18.3363 ± 0.0013 Å
• α: 79.664 ± 0.003°
• β: 85.44 ± 0.003°
• γ: 68.727 ± 0.002°
• Cell volume: 2277.9 ± 0.3 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No