Information card for entry 1547879

Structure parameters

• Formula: C72 H46 Cl2 Eu F24 N5 O6
• Calculated formula: C71 H44 Eu F24 N5 O6
• SMILES: [Eu]12345([O]=C(C=C(O1)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F)([O]=C(C=C(O2)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F)(OC(=CC(=[O]3)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F)[n]1c2c(n(c1c1[n]4c(ccc1)c1[n]5c3c(n1CCC(C)C)ccc(c3)c1ccccc1)CCC(C)C)ccc(c2)c1ccccc1
• Title of publication: Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.
• Authors of publication: Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 325 - 335
• a: 13.7492 ± 0.0004 Å
• b: 20.1925 ± 0.0003 Å
• c: 25.829 ± 0.0006 Å
• α: 90°
• β: 90.402 ± 0.002°
• γ: 90°
• Cell volume: 7170.7 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1028
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No