Information card for entry 7017993

Structure parameters

• Formula: C29 H29 Cl N3 O2 P Pd S
• Calculated formula: C29 H29 Cl N3 O2 P Pd S
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Pd]1([N](=Cc2cccc(c2O)OC)N=C(NCC)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: 14.9284 ± 0.0003 Å
• b: 10.2817 ± 0.0002 Å
• c: 18.9004 ± 0.0003 Å
• α: 90°
• β: 102.443 ± 0.001°
• γ: 90°
• Cell volume: 2832.87 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No