Information card for entry 7053056

Structure parameters

• Formula: C32 H33 N8 O13 Sm Zn
• Calculated formula: C32 H33 N8 O13 Sm Zn
• SMILES: C[O]1c2cccc3c2[O]2[Zn]45([O]6[Sm]78912(ON(=[O]8)=O)(ON(=[O]7)=O)([O](C)c1cccc(c16)C=[N]5CCc1ccccn1)[O]=N(=O)O9)[N](=C3)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: 17.1501 ± 0.0005 Å
• b: 11.1874 ± 0.0009 Å
• c: 20.5208 ± 0.0011 Å
• α: 90°
• β: 105.596 ± 0.004°
• γ: 90°
• Cell volume: 3792.3 ± 0.4 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No