Information card for entry 1515289

Structure parameters

• Formula: C29 H30 Cl2 N3 Ni O2 P S
• Calculated formula: C29 H30 Cl2 N3 Ni O2 P S
• SMILES: [Ni]12(Oc3c(C=[N]2NC(=[S]1)N)cc(Cl)c(c3)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].OCC
• 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: 9.333 ± 0.003 Å
• b: 10.316 ± 0.003 Å
• c: 15.611 ± 0.004 Å
• α: 93.677 ± 0.005°
• β: 90.998 ± 0.005°
• γ: 95.767 ± 0.005°
• Cell volume: 1491.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0927
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No