Information card for entry 7057019

Structure parameters

• Formula: C36 H30 Ho2 N8 O16
• Calculated formula: C36 H30 Ho2 N8 O16
• SMILES: c1cccc2c1[n]1c(cc2)C=[N]2Cc3c4[O]5[Ho]67812([O]=N(=O)O6)(ON(=[O]7)=O)[O](c1c2[O]8[Ho]6785([O](c4ccc3)C)([n]3c4ccccc4ccc3C=[N]6Cc2ccc1)(ON(=[O]7)=O)ON(=[O]8)=O)C
• 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: 9.1835 ± 0.0006 Å
• b: 13.8511 ± 0.0009 Å
• c: 15.925 ± 0.0012 Å
• α: 90°
• β: 105.826 ± 0.002°
• γ: 90°
• Cell volume: 1948.9 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0467
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No