Information card for entry 1515299

Structure parameters

• Formula: C30 H33 N4 O P Pd S
• Calculated formula: C30 H31 N4 O2 P Pd S
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Pd]12[N](=Cc3c(O1)cc(cc3)N(CC)CC)N=C(N)S2.O
• Title of publication: DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.
• Authors of publication: Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 101 - 113
• a: 9.6836 ± 0.0002 Å
• b: 11.1912 ± 0.0002 Å
• c: 27.4533 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2975.14 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No