Information card for entry 4325500

Structure parameters

• Formula: C19 H22 N5 O14 Tb Zn
• Calculated formula: C19 H20 N5 O14 Tb Zn
• SMILES: C[O]1c2cccc3c2[O]2[Tb]45671([O]=N(O5)=O)([O]=N(O7)=O)([O]1c5c(C=[N]6CCC[N](=C3)[Zn]216[OH2])cccc5[O]4C)ON(=[O]6)=O
• Title of publication: Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes
• Authors of publication: Traian D. Pasatoiu; Carmen Tiseanu; Augustin M. Madalan; Bogdan Jurca; Carine Duhayon; Jean Pascal Sutter; Marius Andruh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5879 - 5889
• a: 8.9308 ± 0.0004 Å
• b: 29.2003 ± 0.0009 Å
• c: 10.1584 ± 0.0005 Å
• α: 90°
• β: 103.682 ± 0.003°
• γ: 90°
• Cell volume: 2573.96 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No