Information card for entry 4315010

Structure parameters

• Formula: C19 H20 Eu N5 O14 Zn
• Calculated formula: C19 H20 Eu N5 O14 Zn
• SMILES: C[O]1c2cccc3c2[O]2[Zn]456([N](=C3)CCC[N]4=Cc3cccc4c3[O]5[Eu]375126([O]=N(O3)=O)(ON(=[O]7)=O)(ON(=[O]5)=O)[O]4C)[OH2]
• 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: 8.9419 ± 0.0004 Å
• b: 29.2149 ± 0.0013 Å
• c: 10.1778 ± 0.0004 Å
• α: 90°
• β: 103.496 ± 0.003°
• γ: 90°
• Cell volume: 2585.4 ± 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: 0.0794
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No