Information card for entry 1514567

Structure parameters

• Formula: C38 H31 F18 Lu N6 O7
• Calculated formula: C38 H31 F18 Lu N6 O7
• SMILES: [Lu]12345([O]=C(N(CC)CC)c6[n]4c(ccc6)c4[n]5c5ccccc5n4CC)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O3)C(F)(F)F)C(F)(F)F.N#CC.N#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: 12.2354 ± 0.0002 Å
• b: 14.4044 ± 0.0002 Å
• c: 14.8029 ± 0.0003 Å
• α: 77.3039 ± 0.0016°
• β: 72.1925 ± 0.0019°
• γ: 68.6551 ± 0.0017°
• Cell volume: 2296.17 ± 0.08 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: 0.0277
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No