Information card for entry 1514566

Structure parameters

• Formula: C119 H90.5 Eu3 F54 N18.5 O20
• Calculated formula: C119 H90.5 Eu3 F54 N18.5 O20
• SMILES: [Eu]12345([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)[n]1c(cccc1c1[n]5c2cc(ccc2n1CC)Cc1cc2[n]3[Eu]5678([O]=C(N(CC)CC)c9[n]8c(c3n(c2cc1)CC)ccc9)(OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]6)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O7)C(F)(F)F)C(F)(F)F)c1[n]4c2cc(ccc2n1CC)Cc1cc2[n]3[Eu]4567([O]=C(N(CC)CC)c8[n]7c(c3n(c2cc1)CC)ccc8)([O]=C(C=C(O4)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O6)C(F)(F)F)C(F)(F)F.N#CC.N#CC.N#CC.N#CC.N#CC.C(#N)C
• Title of publication: Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers
• Authors of publication: Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 1125
• a: 17.6614 ± 0.0004 Å
• b: 19.7308 ± 0.0004 Å
• c: 23.4654 ± 0.0005 Å
• α: 95.2886 ± 0.0019°
• β: 96.678 ± 0.0019°
• γ: 114.691 ± 0.002°
• Cell volume: 7288.8 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0715
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No