Information card for entry 7705543

Structure parameters

• Formula: C39 H40 N2 O5 P Pd
• Calculated formula: C39 H36 N O5 P Pd
• SMILES: [Pd]12(C(C(=O)c3ccc(cc3)c3ccccc3)=P(c3c2cccc3)(c2ccccc2)c2ccccc2)OC(=O)C([NH2]1)C.O1CCCC1.O
• Title of publication: Potent cyclometallated Pd(II) antitumor complexes bearing α-amino acids: synthesis, structural characterization, DNA/BSA binding, cytotoxicity and molecular dynamics simulation.
• Authors of publication: Abedanzadeh, Sedigheh; Karami, Kazem; Rahimi, Mostafa; Edalati, Masoud; Abedanzadeh, Mozhgan; Tamaddon, Ali Mohammad; Jahromi, Maryam Dehdashti; Amirghofran, Zahra; Lipkowski, Janusz; Lyczko, Krzysztof
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 42
• Pages of publication: 14891 - 14907
• a: 12.007 ± 0.002 Å
• b: 12.226 ± 0.001 Å
• c: 23.179 ± 0.002 Å
• α: 90.59 ± 0.01°
• β: 92.17 ± 0.01°
• γ: 91.24 ± 0.01°
• Cell volume: 3399.2 ± 0.7 ų
• 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: 0.121
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No