Information card for entry 7705758

Structure parameters

• Formula: C17 H17 Eu N6 O12
• Calculated formula: C17 H17 Eu N6 O12
• SMILES: [Eu]12345([OH2])(ON(=[O]1)=O)(ON(=O)=[O]2)(ON(=O)=[O]3)[n]1c(cc(cc1C1=[N]5CCO1)c1ccccc1)C1OCC[N]4=1
• Title of publication: Effect of the aromatic substituent on the <i>para</i>-position of pyridine-bis(oxazoline) sensitizers on the emission efficiency of their Eu^III and Tb^III complexes.
• Authors of publication: de Bettencourt-Dias, Ana; Rossini, Jeffrey S. K.; Sobrinho, Josiane A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17699 - 17708
• a: 9.1845 ± 0.0002 Å
• b: 10.3327 ± 0.0002 Å
• c: 11.9654 ± 0.0002 Å
• α: 98.419 ± 0.001°
• β: 108.109 ± 0.001°
• γ: 91.791 ± 0.001°
• Cell volume: 1064.08 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No