Information card for entry 4070117

Structure parameters

• Formula: C26 H27 Cl2 F3 I N3 O3 Pd S
• Calculated formula: C26 H27 Cl2 F3 I N3 O3 Pd S
• Title of publication: Synthesis of 1,2-Dihydroquinazolinium-4-yl Palladium Complexes through a Cyclization Reaction
• Authors of publication: Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio J.; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 5915
• a: 10.239 ± 0.0005 Å
• b: 10.6933 ± 0.0005 Å
• c: 15.2452 ± 0.0007 Å
• α: 93.265 ± 0.002°
• β: 100.489 ± 0.002°
• γ: 109.693 ± 0.002°
• Cell volume: 1532.62 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No