Information card for entry 7220643

Structure parameters

• Formula: C35 H32 Eu F9 O11 S
• Calculated formula: C35 H32 Eu F9 O11 S
• SMILES: [Eu]123([O]=C(C(F)(F)F)C=C(O2)c2ccc(OC)cc2)([O]=S(C)C)([O]=C(C=C(O1)c1ccc(OC)cc1)C(F)(F)F)([OH2])[O]=C(C=C(O3)C(F)(F)F)c1ccc(OC)cc1
• Title of publication: Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate Eu(III) complexes.
• Authors of publication: Zhu, Tianyu; Chen, Peng; Li, Hongfeng; Sun, Wenbin; Gao, Ting; Yan, Pengfei
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 16136 - 16144
• a: 11.1497 ± 0.0005 Å
• b: 13.5201 ± 0.0005 Å
• c: 14.2594 ± 0.0007 Å
• α: 75.358 ± 0.004°
• β: 74.28 ± 0.004°
• γ: 83.906 ± 0.003°
• Cell volume: 2000.3 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No