Information card for entry 7057024

Structure parameters

• Formula: C40 H36 N10 O16 Sm2
• Calculated formula: C40 H36 N10 O16 Sm2
• SMILES: C[O]1c2cccc3c2[O]2[Sm]4567([n]8c9ccccc9ccc8C=[N]4Cc4c8c(ccc4)[O](C)[Sm]49%1012(ON(=[O]4)=O)(ON(=[O]9)=O)(ON(=[O]%10)=O)[O]78)([n]1c(C=[N]5C3)ccc2c1cccc2)([N]#CC)ON(=[O]6)=O.CC#N
• 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: 10.896 ± 0.002 Å
• b: 17.785 ± 0.004 Å
• c: 23.351 ± 0.005 Å
• α: 90°
• β: 102 ± 0.03°
• γ: 90°
• Cell volume: 4426.2 ± 1.7 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: 0.0488
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No