Information card for entry 7208408

Structure parameters

• Formula: C21 H28 N5 O15 Tb Zn
• Calculated formula: C21 H26 N5 O15 Tb Zn
• SMILES: C[O]1c2cccc3c2[O]2[Tb]45671(ON(=[O]5)=O)([O]=N(=O)O7)([O]1c5c(C=[N]7CC(C[N](=C3)[Zn]217[OH2])(C)C)cccc5[O]4C)[O]=N(=O)O6.O
• 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: 8.895 ± 0.0007 Å
• b: 13.2908 ± 0.0011 Å
• c: 13.3864 ± 0.001 Å
• α: 83.147 ± 0.006°
• β: 71.607 ± 0.006°
• γ: 73.388 ± 0.006°
• Cell volume: 1438.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No