Information card for entry 7060135

Structure parameters

• Formula: C26 H27 Cl N3 P Pd S
• Calculated formula: C26 H27 Cl N3 P Pd S
• SMILES: Cc1cc(C)n2/C(=N/CC)S[Pd]([n]12)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Palladium(ii) complexes bearing 1-iminothiolate-3,5-dimethylpyrazoles: synthesis, cytotoxicity, DNA binding and enzymatic inhibition studies
• Authors of publication: de Moura, Thales Reggiani; Zanetti, Renan Diego; Silva, Debora Eduarda Soares; de Farias, Renan Lira; Mauro, Antonio Eduardo; Pereira, José Clayston Melo; de Souza, Aline Aparecida; da Silva Siqueira, Fábio; de Souza Júdice, Wagner Alves; Lima, Mauro Almeida; Rocha, Fillipe Vieira; Deflon, Victor Marcelo; Vieira de Godoy Netto, Adelino
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19891 - 19901
• a: 9.1066 ± 0.0003 Å
• b: 14.6728 ± 0.0005 Å
• c: 38.6322 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5162 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.375
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No