Information card for entry 1565537

Structure parameters

• Formula: C51 H59 Eu N6 O7
• Calculated formula: C51 H59 Eu N6 O7
• SMILES: [Eu]123(Oc4n(nc(c4C(=[O]1)C1CCCCC1)C)c1ccccc1)([OH2])(Oc1n(nc(c1C(=[O]2)C1CCCCC1)C)c1ccccc1)Oc1n(nc(c1C(=[O]3)C1CCCCC1)C)c1ccccc1
• Title of publication: Synthesis, phosphorescence and luminescence properties of novel europium and gadolinium tris-acylpyrazolonate complexes
• Authors of publication: Taydakov, Ilya V.; Belousov, Yury A.; Lyssenko, Konstantin A.; Varaksina, Eugenia; Drozdov, Andrey A.; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119279
• a: 9.8698 ± 0.0005 Å
• b: 14.0281 ± 0.0007 Å
• c: 18.8714 ± 0.0009 Å
• α: 76.317 ± 0.0011°
• β: 81.6093 ± 0.0011°
• γ: 77.7631 ± 0.0011°
• Cell volume: 2468.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No