Information card for entry 1558290

Structure parameters

• Chemical name: PrL2
• Formula: C27 H25 F6 N9 O6 P Pr
• Calculated formula: C27 H25 F6 N9 O6 P Pr
• SMILES: [Pr]1234567(ON(=[O]1)=O)(ON(=[O]2)=O)[n]1ccccc1c1[n]3c(ccc1)C=[N]4C(C[N]5=Cc1[n]6c(ccc1)c1[n]7cccc1)C.[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 24.6944 ± 0.0013 Å
• b: 12.1525 ± 0.0007 Å
• c: 24.3587 ± 0.0018 Å
• α: 90°
• β: 119.085 ± 0.001°
• γ: 90°
• Cell volume: 6388.2 ± 0.7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No