Information card for entry 1576089

Structure parameters

• Formula: C87 H50 Dy F27 N2 O6 S6
• Calculated formula: C87 H50 Dy F26.997 N2 O6 S6
• Title of publication: From erbium(iii) to samarium(iii): generalized photomodulation of NIR to red lanthanide luminescence with a DTE ligand and its versatile role in the quenching processes
• Authors of publication: Phan, Tuan-Anh; Gendron, Frédéric; Kiraev, Salauat; Galangau, Olivier; Fréroux, Yoann; Al Sabea, Hassan; Mittelheisser, Cédric; Dallon, Marie; Bouchet, Aude; Riobé, François; Métivier, Remi; Sliwa, Michel; Le Guennic, Boris; Maury, Olivier; Banyasz, Akos; Marekha, Bogdan; Norel, Lucie; Rigaut, Stéphane
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 11.6848 ± 0.0014 Å
• b: 18.141 ± 0.002 Å
• c: 22.734 ± 0.003 Å
• α: 84.532 ± 0.005°
• β: 82.784 ± 0.004°
• γ: 77.108 ± 0.004°
• Cell volume: 4649 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0947
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No