Information card for entry 7208407

Structure parameters

• Formula: C21 H26 N5 O14 Sm Zn
• Calculated formula: C21 H24 N5 O14 Sm Zn
• SMILES: C[O]1c2cccc3c2[O]2[Sm]45671(ON(=[O]5)=O)(ON(=[O]7)=O)(ON(=[O]6)=O)[O]1c5c(C=[N]6CC(C[N](=C3)[Zn]216[OH2])(C)C)cccc5[O]4C
• Title of publication: One- and two-photon induced emission in heterobimetallic Zn(II)-Sm(III) and Zn(II)-Tb(III) complexes with a side-off compartmental ligand.
• Authors of publication: Pasatoiu, Traian D.; Madalan, Augustin M.; Zamfirescu, Marian; Tiseanu, Carmen; Andruh, Marius
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 32
• Pages of publication: 11448 - 11456
• a: 8.8341 ± 0.0003 Å
• b: 17.4965 ± 0.0007 Å
• c: 17.9724 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2777.92 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No