Information card for entry 4302534

Structure parameters

• Formula: C43 H33 Eu N6 O11
• Calculated formula: C43 H33 Eu N6 O11
• SMILES: [Eu]123456(OC(=O)c7[n]1c(ccc7)c1oc7ccccc7[n]21)(OC(=O)c1[n]3c(ccc1)c1oc2ccccc2[n]41)OC(=O)c1[n]5c(ccc1)c1oc2ccccc2[n]61.CCO.CCO
• Title of publication: Benzothiazole- and Benzoxazole-Substituted Pyridine-2-Carboxylates as Efficient Sensitizers of Europium Luminescence
• Authors of publication: Jean-Claude G. Bünzli; Nail M. Shavaleev; Rosario Scopelliti; Frédéric Gumy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6178 - 6191
• a: 12.3155 ± 0.0014 Å
• b: 26.6467 ± 0.0016 Å
• c: 13.1243 ± 0.0009 Å
• α: 90°
• β: 116.734 ± 0.006°
• γ: 90°
• Cell volume: 3846.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0288
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No