Information card for entry 7055019

Structure parameters

• Formula: C37 H34 Cl Cu N3 O4
• Calculated formula: C37 H34 Cl Cu N3 O4
• SMILES: c1cccc2c3cc(c4ccc(C)cc4)cc4c5cccc[n]5[Cu]([n]12)([n]34)(OC(=O)[C@H](c1ccc2cc(ccc2c1)OC)C)Cl.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: 8.6469 ± 0.0007 Å
• b: 34.562 ± 0.003 Å
• c: 11.4333 ± 0.001 Å
• α: 90°
• β: 109.165 ± 0.005°
• γ: 90°
• Cell volume: 3227.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1407
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.2528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No