Information card for entry 7017995

Structure parameters

• Formula: C33 H28 N3 O2 P Pd S
• Calculated formula: C33 H28 N3 O2 P Pd S
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Pd]12[N](=Cc3c(O1)c(ccc3)OC)N=C(Nc1ccccc1)S2
• 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: 11.9088 ± 0.0003 Å
• b: 8.0278 ± 0.0002 Å
• c: 15.6843 ± 0.0005 Å
• α: 90°
• β: 102.48 ± 0.001°
• γ: 90°
• Cell volume: 1464.01 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No