Information card for entry 7023460

Structure parameters

• Chemical name: Tris(1,1,1-trifluoro-2,4-pentanedionate)mono(5-nitro-1,10-phenanthroline)ytterbium(III)
• Formula: C27 H19 F9 N3 O8 Yb
• Calculated formula: C27 H19 F9 N3 O8 Yb
• SMILES: [Yb]1234(OC(=CC(=[O]1)C(F)(F)F)C)([O]=C(C)C=C(O3)C(F)(F)F)([n]1cccc3cc(c5ccc[n]2c5c13)N(=O)=O)OC(=CC(=[O]4)C)C(F)(F)F
• Title of publication: Structure and NIR-luminescence of ytterbium(III) beta-diketonate complexes with 5-nitro-1,10-phenanthroline ancillary ligand: assessment of chain length and fluorination impact.
• Authors of publication: Martín-Ramos, Pablo; Pereira da Silva, Pedro S.; Lavín, Victor; Martín, Inocencio R; Lahoz, Fernando; Chamorro-Posada, Pedro; Silva, Manuela Ramos; Martín-Gil, Jesús
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13516 - 13526
• a: 9.7806 ± 0.0016 Å
• b: 14.75 ± 0.002 Å
• c: 23.952 ± 0.003 Å
• α: 90°
• β: 114.101 ± 0.005°
• γ: 90°
• Cell volume: 3154.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1434
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No