Information card for entry 4315011

Structure parameters

• Formula: C19 H20 Gd N5 O14 Zn
• Calculated formula: C19 H20 Gd N5 O14 Zn
• SMILES: C[O]1c2cccc3c2[O]2[Gd]45671(ON(=[O]5)=O)(ON(=[O]6)=O)([O]1c5c(C=[N]6CCC[N](=C3)[Zn]216[OH2])cccc5[O]4C)[O]=N(=O)O7
• Title of publication: Temperature Switch of LMCT Role: From Quenching to Sensitization of Europium Emission in a ZnII-EuIII Binuclear Complex
• Authors of publication: Traian D. Pasatoiu; Augustin M. Madalan; Michael U. Kumke; Carmen Tiseanu; Marius Andruh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2310 - 2315
• a: 8.9343 ± 0.0003 Å
• b: 29.2116 ± 0.0013 Å
• c: 10.1603 ± 0.0003 Å
• α: 90°
• β: 103.538 ± 0.003°
• γ: 90°
• Cell volume: 2578.01 ± 0.17 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: 0.0864
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No