Information card for entry 1515290

Structure parameters

• Formula: C27 H23 Cl N3 O P Pd S
• Calculated formula: C27 H23 Cl N3 O P Pd S
• SMILES: [Pd]12(Oc3cc(c(Cl)cc3C=[N]2N=C(S1)N)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes.
• Authors of publication: Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 218 - 227
• a: 7.7387 ± 0.0005 Å
• b: 24.7405 ± 0.0018 Å
• c: 27.364 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5239.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No