Information card for entry 4340626

Structure parameters

• Formula: C51 H53 B3 F2 O2
• Calculated formula: C51 H53 B3 F2 O2
• SMILES: [B]1(F)(F)OC(=CC(=[O]1)c1ccc(B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)cc1)c1ccc(B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)cc1
• Title of publication: Sensitizing Tb(III) and Eu(III) Emission with Triarylboron Functionalized 1,3-Diketonato Ligands.
• Authors of publication: Smith, Larissa F.; Blight, Barry A.; Park, Hee-Jun; Wang, Suning
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 8036
• a: 9.9391 ± 0.0016 Å
• b: 16.595 ± 0.003 Å
• c: 14.119 ± 0.002 Å
• α: 90°
• β: 109.87 ± 0.003°
• γ: 90°
• Cell volume: 2190.1 ± 0.6 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1628
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No