Information card for entry 4335609

Structure parameters

• Formula: C46 H50 Dy F9 N2 O6
• Calculated formula: C46 H50 Dy F9 N2 O6
• SMILES: [Dy]1234([n]5ccccc5c5cccc[n]15)(OC1=C([C@H]5CC[C@@]1(C5(C)C)C)C(C(F)(F)F)=[O]2)(OC1=C([C@H]2CC[C@@]1(C2(C)C)C)C(C(F)(F)F)=[O]3)OC1=C([C@H]2CC[C@@]1(C2(C)C)C)C(C(F)(F)F)=[O]4
• Title of publication: Field-Induced Single-Ion Magnets Based on Enantiopure Chiral β-Diketonate Ligands
• Authors of publication: Cai-Ming Liu; De-Qing Zhang; Dao-Ben Zhu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8933 - 8940
• a: 12.267 ± 0.002 Å
• b: 12.899 ± 0.003 Å
• c: 16.729 ± 0.003 Å
• α: 69.88 ± 0.03°
• β: 73.43 ± 0.03°
• γ: 71.44 ± 0.03°
• Cell volume: 2309.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No