Information card for entry 7057020

Structure parameters

• Formula: C36 H30 Er2 N8 O16
• Calculated formula: C36 H30 Er2 N8 O16
• SMILES: c1cccc2c1[n]1c(cc2)C=[N]2Cc3cccc4[O](C)[Er]56789([O](c34)[Er]34%1012([O]=N(=O)O3)(ON(=O)=[O]4)[O]5c1c(C[N]7=Cc2ccc3ccccc3[n]62)cccc1[O]%10C)(ON(=O)=[O]8)ON(=O)=[O]9
• Title of publication: Eight homodinuclear lanthanide complexes prepared from a quinoline based ligand: structural diversity and single-molecule magnetism behaviour
• Authors of publication: Pan, Yangdan; Zhang, Haifeng; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Li, Yahong; Liu, Wei; Dong, Yaping
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 5153
• a: 9.3218 ± 0.0005 Å
• b: 13.8104 ± 0.0007 Å
• c: 15.8272 ± 0.001 Å
• α: 90°
• β: 105.427 ± 0.006°
• γ: 90°
• Cell volume: 1964.1 ± 0.2 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 0.0667
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No