Information card for entry 1566042

Structure parameters

• Common name: [PrL3(5,5'-Me2bipy)]
• Formula: C54 H36 F9 N2 O6 Pr
• Calculated formula: C54 H36 F9 N2 O6 Pr
• SMILES: [Pr]1234([n]5c(ccc(c5)C)c5[n]1cc(cc5)C)(OC(=CC(=[O]2)c1cc2ccccc2cc1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)c1cc2ccccc2cc1)OC(=CC(=[O]4)c1cc2ccccc2cc1)C(F)(F)F
• Title of publication: Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes
• Authors of publication: Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.
• Journal of publication: Crystals
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 179
• a: 20.1848 ± 0.0006 Å
• b: 11.9034 ± 0.0003 Å
• c: 19.6102 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4711.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No