Information card for entry 7704322

Structure parameters

• Formula: C23 H27 N3 O2 S2
• Calculated formula: C23 H27 N3 O2 S2
• Title of publication: Luminescent lanthanide complexes with a pyridine-bis(carboxamide)-bithiophene sensitizer showing wavelength-dependent singlet oxygen generation.
• Authors of publication: Johnson, Katherine R.; Vittardi, Sebastian B.; Gracia-Nava, Manuel A; Rack, Jeffrey J.; de Bettencourt-Dias, Ana
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 6661 - 6667
• a: 7.6657 ± 0.0002 Å
• b: 17.2855 ± 0.0005 Å
• c: 17.1528 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2272.84 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No