Information card for entry 7225956

Structure parameters

• Formula: C66 H32 F21 O7 Yb
• Calculated formula: C66 H32 F21 O7 Yb
• SMILES: [Yb]123([O]=C(C=C(O1)c1ccc4c5c1ccc1cccc(cc4)c51)C(F)(F)C(F)(F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)C(F)(F)C(F)(F)F)c1ccc2ccc4cccc5ccc1c2c45)(OC(=CC(=[O]3)c1ccc2c3c1ccc1cccc(cc2)c31)C(F)(F)C(F)(F)C(F)(F)F)[OH2]
• Title of publication: Near-infrared luminescence of Nd3+and Yb3+complexes using a polyfluorinated pyrene-based β-diketonate ligand
• Authors of publication: Reddy, M. L. P. Lakshmipathy; GEORGE, T M; Varughese, Sunil
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 14.204 ± 0.003 Å
• b: 15.184 ± 0.003 Å
• c: 17.459 ± 0.004 Å
• α: 113.56 ± 0.01°
• β: 108.085 ± 0.015°
• γ: 94.308 ± 0.012°
• Cell volume: 3194.2 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No