Information card for entry 7063048

Structure parameters

• Formula: C26.5 H25 F3 N4 O2 Pd
• Calculated formula: C26.5 H25 F3 N4 O2 Pd
• Title of publication: Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation
• Authors of publication: Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 13
• Pages of publication: 5710 - 5720
• a: 11.2472 ± 0.0005 Å
• b: 11.667 ± 0.0006 Å
• c: 20.8033 ± 0.0006 Å
• α: 99.053 ± 0.003°
• β: 99.487 ± 0.003°
• γ: 97.943 ± 0.004°
• Cell volume: 2620.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.2076
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No