Information card for entry 1566039

Structure parameters

• Common name: [PrL3(MeOH)2]
• Formula: C44 H32 F9 O8 Pr
• Calculated formula: C44 H32 F9 O8 Pr
• SMILES: [Pr]123(OC(=CC(=[O]1)c1cc4ccccc4cc1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)c1cc2ccccc2cc1)([O]=C(C(F)(F)F)C=C(O3)c1cc2ccccc2cc1)([OH]C)[OH]C
• 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: 8.9307 ± 0.0004 Å
• b: 28.9448 ± 0.0012 Å
• c: 16.2421 ± 0.0007 Å
• α: 90°
• β: 105.674 ± 0.002°
• γ: 90°
• Cell volume: 4042.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No