Information card for entry 7060074

Structure parameters

• Formula: C44.84 H58.87 Dy I0.03 N2 O S1.98
• Calculated formula: C44.8428 H58.869 Dy I0.0262 N2 O S1.9738
• Title of publication: Synthesis and luminescence studies of lanthanide complexes (Gd, Tb, Dy) with phenyl- and 2-pyridylthiolates supported by a bulky β-diketiminate ligand. Impact of the ligand environment on terbium(iii) emission
• Authors of publication: Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.; Pushkarevsky, Nikolay A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19769 - 19779
• a: 11.1737 ± 0.0003 Å
• b: 11.3349 ± 0.0004 Å
• c: 18.294 ± 0.0005 Å
• α: 88.5 ± 0.001°
• β: 81.176 ± 0.001°
• γ: 65.031 ± 0.001°
• Cell volume: 2073.65 ± 0.11 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: 0.0217
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No