Information card for entry 4348898

Structure parameters

• Formula: C12 H20 Dy N7 O12
• Calculated formula: C12 H20 Dy N7 O12
• SMILES: c1cccc2C(N)=[N]3[Dy]4([n]12)(ON(=[O]4)=O)(OC(=N3)c1cccnc1)([OH2])([OH2])([OH2])[OH2].N(=O)(=O)[O-].O
• 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: 7.6971 ± 0.0009 Å
• b: 20.91 ± 0.003 Å
• c: 13.1939 ± 0.0015 Å
• α: 90°
• β: 101.94 ± 0.002°
• γ: 90°
• Cell volume: 2077.6 ± 0.5 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: 0.0465
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No