Information card for entry 1558291

Structure parameters

• Chemical name: PrL3
• Formula: C29 H29 F6 N9 O6 P Pr
• Calculated formula: C29 H29 F6 N9 O6 P Pr
• SMILES: [Pr]1234567([n]8c(C=[N]7CC(C[N]3=Cc3[n]1c(c1[n]5cccc1)ccc3)(C)C)cccc8c1[n]6cccc1)(ON(=O)=[O]4)ON(=O)=[O]2.[P](F)(F)(F)(F)(F)[F-].CC#N
• Title of publication: Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.
• Authors of publication: Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2020
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 1054 - 1062
• a: 11.2569 ± 0.0006 Å
• b: 12.6567 ± 0.0007 Å
• c: 13.684 ± 0.0008 Å
• α: 63.881 ± 0.001°
• β: 88.073 ± 0.001°
• γ: 85.069 ± 0.001°
• Cell volume: 1744.04 ± 0.17 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No