Information card for entry 7715922

Structure parameters

• Formula: C29 H27 Cl3 F3 N3 O5 Pd
• Calculated formula: C29 H27 Cl3 F3 N3 O5 Pd
• 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: 12.1193 ± 0.0006 Å
• b: 14.8888 ± 0.0007 Å
• c: 18.455 ± 0.0008 Å
• α: 89.484 ± 0.002°
• β: 80.014 ± 0.002°
• γ: 80.67 ± 0.002°
• Cell volume: 3235.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 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: 0.0914
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No