Information card for entry 7053058

Structure parameters

• Formula: C32 H35 Gd N8 Ni O14
• Calculated formula: C32 H35 Gd N8 Ni O14
• SMILES: COc1cccc2c1[O]1[Ni]345([N](=C2)CCc2cccc[n]32)[N](=Cc2cccc(c2[O]5[Gd]2351(ON(=[O]2)=O)(ON(=[O]5)=O)(ON(=[O]3)=O)[OH2])OC)CCc1cccc[n]41.C(#N)C
• Title of publication: A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties
• Authors of publication: Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 8
• Pages of publication: 2280
• a: 12.8862 ± 0.0005 Å
• b: 19.4017 ± 0.0006 Å
• c: 15.1766 ± 0.0006 Å
• α: 90°
• β: 98.747 ± 0.003°
• γ: 90°
• Cell volume: 3750.2 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No