Information card for entry 1515291

Structure parameters

• Formula: C27.5 H25 As Cl N3 O1.5 Pd S
• Calculated formula: C27.5 H25 As Cl N3 O1.5 Pd S
• SMILES: [Pd]12(Oc3cc(c(Cl)cc3C=[N]2N=C(S1)N)C)[As](c1ccccc1)(c1ccccc1)c1ccccc1.OC
• 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: 8.4072 ± 0.0003 Å
• b: 16.1292 ± 0.0006 Å
• c: 20.8979 ± 0.0007 Å
• α: 80.612 ± 0.002°
• β: 88.34 ± 0.002°
• γ: 87.39 ± 0.002°
• Cell volume: 2792.26 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1425
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No