Information card for entry 7057018

Structure parameters

• Formula: C36 H30 N8 O16 Tb2
• Calculated formula: C36 H30 N8 O16 Tb2
• SMILES: c12ccc3[n]([Tb]45678([N](=C3)Cc3cccc9[O](C)[Tb]%10%11%12%13([O]6c39)([n]3c(ccc6ccccc36)C=[N]%11Cc3cccc([O]8C)c3[O]7%10)(ON(=O)=[O]%12)ON(=O)=[O]%13)(ON(=O)=[O]4)[O]=N(=O)O5)c1cccc2
• 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: 9.173 ± 0.002 Å
• b: 14.015 ± 0.004 Å
• c: 15.954 ± 0.005 Å
• α: 90°
• β: 106.572 ± 0.008°
• γ: 90°
• Cell volume: 1965.8 ± 0.9 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 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: 0.0743
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No