Information card for entry 7016804

Structure parameters

• Formula: C33 H27 N2 Ni O2 P
• Calculated formula: C33 H27 N2 Ni O2 P
• SMILES: c12ccccc1C=[N]1N=C(c3ccc(cc3)C)O[Ni]1(O2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Effect of substitution and planarity of the ligand on DNA/BSA interaction, free radical scavenging and cytotoxicity of diamagnetic Ni(ii) complexes: A systematic investigation.
• Authors of publication: Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 38
• Pages of publication: 9690 - 9702
• a: 10.2703 ± 0.001 Å
• b: 11.8729 ± 0.0011 Å
• c: 11.9851 ± 0.0011 Å
• α: 81.516 ± 0.002°
• β: 68.128 ± 0.002°
• γ: 89.718 ± 0.002°
• Cell volume: 1339.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No