Information card for entry 7045022

Structure parameters

• Formula: C22 H30 N3 Ni O17 Tb
• Calculated formula: C22 H30 N3 Ni O17 Tb
• SMILES: [Ni]123([O]=Cc4c5[O]3[Tb]3678(ON(=O)=[O]7)(ON(=O)=[O]6)([O]1c1c([O]3C)cccc1C=[O]2)([O](c5ccc4)C)[O]=N(=O)O8)([OH]C(C)C)[OH]C(C)C
• 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: 9.5216 ± 0.0019 Å
• b: 16.757 ± 0.003 Å
• c: 19.565 ± 0.004 Å
• α: 90°
• β: 93.34 ± 0.03°
• γ: 90°
• Cell volume: 3116.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No