Information card for entry 7020249

Structure parameters

• Formula: C31 H27 N4 O2 P Pd S
• Calculated formula: C31 H27 N4 O2 P Pd S
• SMILES: [Pd]12([N](=Cc3c(O2)nc2c(c3)cc(cc2)OC)N=C(S1)NC)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Mixed ligand palladium(ii) complexes of 6-methoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde 4N-substituted thiosemicarbazones with triphenylphosphine co-ligand: Synthesis, crystal structure and biological properties.
• Authors of publication: Ramachandran, Eswaran; Senthil Raja, Duraisamy; Bhuvanesh, Nattamai S. P.; Natarajan, Karuppannan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 43
• Pages of publication: 13308 - 13323
• a: 14.2896 ± 0.0012 Å
• b: 11.4236 ± 0.001 Å
• c: 18.1864 ± 0.0015 Å
• α: 90°
• β: 109.905 ± 0.001°
• γ: 90°
• Cell volume: 2791.4 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No