Information card for entry 4347818

Structure parameters

• Formula: C110 H70 Dy2 N4 O12
• Calculated formula: C110 H70 Dy2 N4 O12
• SMILES: c1(c2ccccc2cc2c1cccc2)C1[O]2[Dy]34567([n]8ccccc8c8[n]3cccc8)([O]=C(O[Dy]382([O]=1)([n]1ccccc1c1[n]3cccc1)([O]6C(c1c2ccccc2cc2ccccc12)=[O]7)([O]=C(O5)c1c2ccccc2cc2ccccc12)[O]=C(O8)c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2c1cccc2)[O]=C(O4)c1c2ccccc2cc2ccccc12
• Title of publication: Fine-Tuning Ligand to Modulate the Magnetic Anisotropy in a Carboxylate-Bridged Dy2 Single-Molecule Magnet System.
• Authors of publication: Wang, Yu-Ling; Han, Chang-Bao; Zhang, Yi-Quan; Liu, Qing-Yan; Liu, Cai-Ming; Yin, Shun-Gao
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5578 - 5584
• a: 11.9907 ± 0.0003 Å
• b: 13.6805 ± 0.0003 Å
• c: 15.2443 ± 0.0004 Å
• α: 109.302 ± 0.002°
• β: 110.826 ± 0.002°
• γ: 100.833 ± 0.002°
• Cell volume: 2069.41 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0428
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No