Information card for entry 7061737

Structure parameters

• Formula: C48 H38 Cl Cu N6 O6
• Calculated formula: C48 H38 Cl Cu N6 O6
• SMILES: [Cu]12([n]3c4ccccc4ccc3C=[N]1CCN1C(=O)c3cccc4cccc(C1=O)c34)[n]1c3ccccc3ccc1C=[N]2CCN1C(=O)c2cccc3cccc(C1=O)c23.[Cl-].O.O
• Title of publication: Copper(i) complexes with quinolone appended 1,8-naphthalimide conjugates: structural characterization, DNA and protein binding and cytotoxicity studies
• Authors of publication: Shaikh, Sabiha A.; Bhat, Satish S.; Revankar, Vidyanand K.; S., Naveen; Kumara, Karthik; Lokanath, N. K.; Butcher, Ray J.; Kumbar, Vijay; Bhat, Kishore
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 16801 - 16812
• a: 12.095 ± 0.003 Å
• b: 13.465 ± 0.003 Å
• c: 15.685 ± 0.003 Å
• α: 100.689 ± 0.007°
• β: 105.662 ± 0.007°
• γ: 115.044 ± 0.008°
• Cell volume: 2092.7 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 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: 0.1286
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No