Information card for entry 4347820

Structure parameters

• Formula: C118 H78 Dy2 N4 O12
• Calculated formula: C118 H78 Dy2 N4 O12
• SMILES: c1(c2ccccc2cc2ccccc12)C1[O]2[Dy]34567([n]8ccc(c9ccc%10c(cc[n]3c%10c89)C)C)([O]=C(O[Dy]382([O]=1)([n]1ccc(c2ccc9c(cc[n]3c9c12)C)C)([O]6C(c1c2ccccc2cc2ccccc12)=[O]7)([O]=C(O5)c1c2ccccc2cc2ccccc12)[O]=C(O8)c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12)[O]=C(O4)c1c2ccccc2cc2c1cccc2
• 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: 15.124 ± 0.003 Å
• b: 21.055 ± 0.002 Å
• c: 15.431 ± 0.006 Å
• α: 90°
• β: 115.15 ± 0.03°
• γ: 90°
• Cell volume: 4448 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No