Information card for entry 7057022

Structure parameters

• Formula: C38 H38 N8 O18 Pr2
• Calculated formula: C38 H38 N8 O18 Pr2
• SMILES: c12ccccc1[n]1c(cc2)C=[N]2Cc3cccc4c3[O]3[Pr]56789([n]%10c%11ccccc%11ccc%10C=[N]5Cc5c%10c(ccc5)[O](C)[Pr]5%11123(ON(=[O]5)=O)([OH2]9)([O]7%10)ON(=O)=[O]%11)(ON(=[O]6)=O)(ON(=O)=[O]8)[O]4C.CCO
• 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: 13.3254 ± 0.0008 Å
• b: 13.4632 ± 0.0008 Å
• c: 14.0695 ± 0.0012 Å
• α: 63.357 ± 0.002°
• β: 84.227 ± 0.003°
• γ: 80.344 ± 0.002°
• Cell volume: 2223.2 ± 0.3 ų
• Cell temperature: 305 ± 2 K
• Ambient diffraction temperature: 304.79 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No