Information card for entry 7708089

Structure parameters

• Formula: C41 H24 Eu F9 N2 O7
• Calculated formula: C41 H24 Eu F9 N2 O7
• Title of publication: Theoretical chemistry-handled strategy for the rational design of new luminescent lanthanide complexes: An approach from multireference SOC-NEVPT2 method
• Authors of publication: Cantero-López, Plinio; Santoyo-Flores, Julian; Carreño, Alexander; Fuentes, Juan; Vega, Andres; Ramirez-Osorio, Angelica; Ortiz, Alejandro; Illicachi, Luis alberto; Olea, Andres; Sánchezc , Julio; Páez-Hernández, Dayán
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 12.75 ± 0.002 Å
• b: 18.005 ± 0.003 Å
• c: 16.951 ± 0.003 Å
• α: 90°
• β: 98.825 ± 0.002°
• γ: 90°
• Cell volume: 3845.3 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No