Information card for entry 7053067

Structure parameters

• Formula: C28 H34 N7 Ni O17 Sm
• Calculated formula: C28 H30 N7 Ni O17 Sm
• SMILES: COc1cccc2c1[O]1[Ni]345([n]6c(C[N]3=C2)cccc6)[n]2c(C[N]4=Cc3cccc(c3[O]5[Sm]3451(ON(=[O]3)=O)(ON(=[O]4)=O)(ON(=[O]5)=O)([OH2])[OH2])OC)cccc2.O.O
• 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: 14.4975 ± 0.0008 Å
• b: 23.6838 ± 0.0016 Å
• c: 23.5318 ± 0.0016 Å
• α: 90°
• β: 104.979 ± 0.006°
• γ: 90°
• Cell volume: 7805.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/n 1
• Hall space group symbol: -C 2yac
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No