Information card for entry 1514565

Structure parameters

• Formula: C69 H50 Eu2 F36 N8 O14
• Calculated formula: C69 H50 Eu2 F36 N8 O14
• SMILES: CCN(C1=[O][Eu]2345([n]6c1cccc6c1[n]5c5cc(ccc5n1CC)Cc1ccc5c(c1)[n]1c(n5CC)c5[n]6[Eu]7891([O]=C(c6ccc5)N(CC)CC)(OC(=CC(=[O]9)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]8)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]7)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)CC
• 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: 21.9162 ± 0.0008 Å
• b: 18.3619 ± 0.0008 Å
• c: 24.8681 ± 0.0009 Å
• α: 90°
• β: 122.872 ± 0.002°
• γ: 90°
• Cell volume: 8405.1 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No