Information card for entry 4348892

Structure parameters

• Formula: C14 H18 Dy N7 O9
• Calculated formula: C14 H18 Dy N7 O9
• SMILES: c1cccc2C(N)=[N]3[Dy]45([n]12)(ON(=[O]4)=O)(ON(=[O]5)=O)(OC(=N3)c1cccnc1)([OH]C)[OH]C
• Title of publication: Fine-Tuning of the Coordination Environment To Regulate the Magnetic Behavior in Solvent/Anion-Dependent Dy^III Compounds: Synthesis, Structure, Magnetism, and Ab Initio Calculations.
• Authors of publication: Sun, Lin; Zhang, Sheng; Qiao, Chengfang; Chen, Sanping; Yin, Bing; Wang, Wenyuan; Wei, Qing; Xie, Gang; Gao, Shengli
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10587 - 10596
• a: 11.9004 ± 0.0019 Å
• b: 10.5394 ± 0.0017 Å
• c: 16.501 ± 0.003 Å
• α: 90°
• β: 102.795 ± 0.003°
• γ: 90°
• Cell volume: 2018.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No