Information card for entry 4302540

Structure parameters

• Formula: C41 H25 Br3 N7 O11 Yb
• Calculated formula: C41 H25 Br3 N7 O11 Yb
• SMILES: [Yb]1234(OC(=O)c5[n]1c(ccc5)c1oc5ccc(Br)cc5[n]21)(OC(=O)c1[n]3c(ccc1)c1oc2ccc(Br)cc2[n]41)(OC(=O)c1nc(ccc1)c1oc2c(n1)cc(Br)cc2)([OH2])[OH2].CC#N
• 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: 15.0118 ± 0.0019 Å
• b: 14.56 ± 0.002 Å
• c: 18.445 ± 0.0015 Å
• α: 90°
• β: 96.266 ± 0.008°
• γ: 90°
• Cell volume: 4007.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0778
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No