Information card for entry 7063056

Structure parameters

• Formula: C33.5 H27 F6 N5 Pd
• Calculated formula: C33.5 H27 F6 N5 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: 8.7513 ± 0.0002 Å
• b: 12.4438 ± 0.0003 Å
• c: 14.6041 ± 0.0004 Å
• α: 92.799 ± 0.002°
• β: 96.175 ± 0.002°
• γ: 100.159 ± 0.002°
• Cell volume: 1552.62 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0387
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No