Information card for entry 7017994

Structure parameters

• Formula: C28 H27 Cl N3 O2 P Pd S
• Calculated formula: C28 H27 Cl N3 O2 P Pd S
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Pd]1([N](=Cc2cccc(c2O)OC)N=C(NC)S1)Cl
• Title of publication: Influence of terminal substitution on structural, DNA, Protein binding, anticancer and antibacterial activities of palladium(ii) complexes containing 3-methoxy salicylaldehyde-4(N) substituted thiosemicarbazones.
• Authors of publication: Kalaivani, P.; Prabhakaran, R.; Ramachandran, E.; Dallemer, F.; Paramaguru, G.; Renganathan, R.; Poornima, P.; Vijaya Padma, V.; Natarajan, K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2486 - 2499
• a: 9.817 ± 0.0002 Å
• b: 14.5065 ± 0.0003 Å
• c: 21.6341 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3080.92 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.099
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No