Information card for entry 7055020

Structure parameters

• Formula: C33.5 H30 Cl Cu N3 O5.5
• Calculated formula: C33.5 H30 Cl Cu N3 O5.5
• SMILES: c1ccc(c2cc3c4cccc[n]4[Cu]4([n]3c(c2)c2cccc[n]42)(OC(=O)[C@@H](C)c2cc3ccc(cc3cc2)OC)Cl)o1.O.CO
• Title of publication: Structural modeling, in vitro antiproliferative activity, and the effect of substituents on the DNA fastening and scission actions of heteroleptic copper(ii) complexes with terpyridines and naproxen
• Authors of publication: Mahendiran, Dharmasivam; Gurumoorthy, Perumal; Gunasekaran, Krishnasamy; Senthil Kumar, Raju; Rahiman, Aziz Kalilur
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7895
• a: 8.59 ± 0.005 Å
• b: 10.579 ± 0.005 Å
• c: 18.094 ± 0.005 Å
• α: 83.522 ± 0.005°
• β: 84.936 ± 0.005°
• γ: 69.681 ± 0.005°
• Cell volume: 1530 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No