Information card for entry 7045020

Structure parameters

• Formula: C18 H19 Gd N4 Ni O16
• Calculated formula: C18 H19 Gd N4 Ni O16
• SMILES: [Gd]123456([O]7[Ni]8([O]=Cc9c7c(ccc9)[O]1C)([O]2c1c(cccc1C=[O]8)[O]3C)([OH2])[N]#CC)(ON(=[O]4)=O)(ON(=[O]5)=O)ON(=[O]6)=O
• 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: 9.9098 ± 0.0014 Å
• b: 15.519 ± 0.002 Å
• c: 16.211 ± 0.002 Å
• α: 90°
• β: 94.695 ± 0.015°
• γ: 90°
• Cell volume: 2484.7 ± 0.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0195
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No