Information card for entry 7045024

Structure parameters

• Formula: C16 H18 Ce N3 Ni O17
• Calculated formula: C16 H18 Ce N3 Ni O17
• SMILES: [Ce]123456([O](c7c(cccc7C=[O]7)[O]4C)[Ni]47([O]1c1c(cccc1C=[O]4)[O]2C)([OH2])[OH2])([O]=N(=O)O5)(ON(=[O]6)=O)ON(=[O]3)=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: 9.4537 ± 0.0006 Å
• b: 18.3586 ± 0.0014 Å
• c: 14.597 ± 0.0012 Å
• α: 90°
• β: 106.503 ± 0.006°
• γ: 90°
• Cell volume: 2429 ± 0.3 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: 0.0375
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No