Information card for entry 4345539

Structure parameters

• Common name: cupph3dppz
• Formula: C55 H44 Cu N5 O4 P2
• Calculated formula: C55 H44 Cu N5 O4 P2
• SMILES: [Cu]1([n]2cccc3c2c2[n]1cccc2c1nc2c(nc31)cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-].OC
• Title of publication: Copper(I)-Phosphine Polypyridyl Complexes: Synthesis, Characterization, DNA/HSA Binding Study, and Antiproliferative Activity.
• Authors of publication: Villarreal, Wilmer; Colina-Vegas, Legna; Visbal, Gonzalo; Corona, Oscar; Corrêa, Rodrigo S; Ellena, Javier; Cominetti, Marcia Regina; Batista, Alzir Azevedo; Navarro, Maribel
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 3781 - 3793
• a: 10.794 ± 0.005 Å
• b: 14.658 ± 0.005 Å
• c: 16.234 ± 0.005 Å
• α: 94.838 ± 0.005°
• β: 104.24 ± 0.005°
• γ: 110.147 ± 0.005°
• Cell volume: 2296.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1039
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No