Information card for entry 7045025

Structure parameters

• Formula: C25 H25 N2 Ni O16 Tb
• Calculated formula: C25 H25 N2 Ni O16 Tb
• SMILES: [Tb]123456([O](c7c([O]4C)cccc7C=[O]4)[Ni]47([O]1c1c([O]3C)cccc1C=[O]7)([OH]C)ON(=[O]5)=O)(ON(=[O]6)=O)[O]=Cc1c(O2)c(ccc1)OC
• Title of publication: Ni^II-Ln^III complexes with o-vanillin as the main ligand: syntheses, structures, magnetic and magnetocaloric properties.
• Authors of publication: Costes, Jean-Pierre; Dahan, Françoise; Vendier, Laure; Shova, Sergiu; Lorusso, Giulia; Evangelisti, Marco
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1106 - 1116
• a: 11.1842 ± 0.0011 Å
• b: 15.6136 ± 0.0013 Å
• c: 16.5063 ± 0.0014 Å
• α: 90°
• β: 90.277 ± 0.011°
• γ: 90°
• Cell volume: 2882.4 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No