Information card for entry 7033061

Structure parameters

• Formula: C90 H76 Eu2 F18 N12 Na2 O17
• Calculated formula: C90 H74 Eu2 F18 N12 Na2 O17
• SMILES: [Eu]1234567[O](C(C(F)(F)F)=CC(=[O]1)c1cc8c(cc1)cccc8)[Na]18([O]=C(O3)C(F)(F)F)([n]3c(C)cc(n3C(n3[n]1c(C)cc3C)n1[n]8c(C)cc1C)C)[O]6=C([O]5[Eu]1356([O]2=C([O]1[Na]12([O]3C(C(F)(F)F)=CC(=[O]5)c3cc5c(cc3)cccc5)([O]=C(O6)C(F)(F)F)[n]3c(C)cc(C)n3C(n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)c1ccc2c(c1)cccc2)([O]=C(O4)C(F)(F)F)OC(=[O]7)C(F)(F)F)c1ccc2c(c1)cccc2.O
• Title of publication: Crystal structure and temperature-dependent luminescence of a heterotetranuclear sodium-europium(III) β-diketonate complex.
• Authors of publication: Bruno, Sofia M.; Ananias, Duarte; Paz, Filipe A Almeida; Pillinger, Martyn; Valente, Anabela A.; Carlos, Luís D; Gonçalves, Isabel S
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 488 - 492
• a: 15.2602 ± 0.0006 Å
• b: 16.4953 ± 0.0006 Å
• c: 19.51 ± 0.0007 Å
• α: 90°
• β: 92.256 ± 0.002°
• γ: 90°
• Cell volume: 4907.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No