Information card for entry 7715806

Structure parameters

• Formula: C24 H18 Cl N5 Pd
• Calculated formula: C24 H18 Cl N5 Pd
• SMILES: [Pd]12(N(c3ccccc3N=[N]2c2ccccc2)c2ccccc2N=[N]1c1ccccc1)Cl
• Title of publication: A sustainable strategic approach for <i>N</i>-alkylation of amines with activation of alcohols triggered <i>via</i> a hydrogen auto-transfer reaction using a Pd(II) complex: evidence for metal-ligand cooperativity.
• Authors of publication: Kumar Chaudhary, Virendra; Kukreti, Prashant; Sharma, Keshav; Kumar, Kapil; Singh, Sain; Kumari, Sheela; Ghosh, Kaushik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 8740 - 8749
• a: 8.8728 ± 0.0009 Å
• b: 10.609 ± 0.0011 Å
• c: 12.3959 ± 0.0014 Å
• α: 73.308 ± 0.004°
• β: 73.136 ± 0.004°
• γ: 88.997 ± 0.004°
• Cell volume: 1066.9 ± 0.2 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: 0.0207
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No