Information card for entry 4315327

Structure parameters

• Formula: C65 H63 Br3 Eu N9 O13
• Calculated formula: C65 H57 Br3 Eu N9 O13
• SMILES: [Eu]123456(OC(=O)c7[n]1c(ccc7)c1[n]2c2c(n1c1ccc(Br)cc1)cccc2)(OC(=O)c1[n]3c(ccc1)c1[n]4c2c(n1c1ccc(Br)cc1)cccc2)OC(=O)c1[n]5c(ccc1)c1[n]6c2c(n1c1ccc(Br)cc1)cccc2.CCO.CCO.CCO.CCO.O.O.O
• Title of publication: N-Aryl Chromophore Ligands for Bright Europium Luminescence
• Authors of publication: Nail M. Shavaleev; Svetlana V. Eliseeva; Rosario Scopelliti; Jean-Claude G. Bünzli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3927 - 3936
• a: 12.2911 ± 0.0006 Å
• b: 15.8191 ± 0.0007 Å
• c: 17.5508 ± 0.0008 Å
• α: 72.415 ± 0.004°
• β: 75.272 ± 0.004°
• γ: 89.408 ± 0.004°
• Cell volume: 3137.9 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No