Information card for entry 7060884

Structure parameters

• Formula: C37 H27 Cl2 Cu N5 O5
• Calculated formula: C37 H27 Cl2 Cu N5 O5
• SMILES: [Cu](Cl)(Cl)([n]1cccc(N2C(=O)c3c4c(C2=O)cccc4ccc3)c1)([n]1cc(N2C(=O)c3c4c(C2=O)cccc4ccc3)ccc1)[O]=CN(C)C
• Title of publication: Synthesis, structural characterization, protein binding, DNA cleavage and anticancer activity of fluorophore labelled copper(ii) complexes based on 1,8-naphthalimide conjugates
• Authors of publication: Shaikh, Sabiha A.; Bhat, Satish S.; Hegde, Pooja L.; Revankar, Vidyanand K.; Kate, Anup; Kirtani, Deepti; Kumbhar, Anupa A.; Kumbar, Vijay; Bhat, Kishore
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 16319 - 16332
• a: 8.3009 ± 0.0002 Å
• b: 13.1441 ± 0.0002 Å
• c: 15.0336 ± 0.0003 Å
• α: 90.047 ± 0.001°
• β: 91.37 ± 0.001°
• γ: 99.324 ± 0.001°
• Cell volume: 1618.13 ± 0.06 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0856
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No