Information card for entry 7208409

Structure parameters

• Formula: C21 H28 Gd N5 O15 Zn
• Calculated formula: C21 H26 Gd N5 O15 Zn
• SMILES: C[O]1c2cccc3c2[O]2[Gd]45671([O]=N(=O)O5)(ON(=[O]7)=O)([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: 8.9096 ± 0.0006 Å
• b: 13.3969 ± 0.0009 Å
• c: 13.3013 ± 0.0009 Å
• α: 83.137 ± 0.005°
• β: 73.461 ± 0.005°
• γ: 71.472 ± 0.005°
• Cell volume: 1442.35 ± 0.18 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: 0.0477
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0923
• 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