Information card for entry 7715923

Structure parameters

• Formula: C38 H22 Cl6 F6 N2 O6 Pd2 S2
• Calculated formula: C36 H18 Cl2 F6 N2 O6 Pd2 S2
• Title of publication: Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity
• Authors of publication: Dumitraș, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban Pablo
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 24.4713 ± 0.0008 Å
• b: 11.0368 ± 0.0004 Å
• c: 15.9675 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4312.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No