Information card for entry 7060885

Structure parameters

• Formula: C29 H18 Cl2 Cu N4 O2
• Calculated formula: C29 H18 Cl2 Cu N4 O2
• SMILES: [Cu]1(Cl)(Cl)([n]2cc(N3C(=O)c4c5c(C3=O)cccc5ccc4)ccc2)[n]2c3c4[n]1cccc4ccc3ccc2
• 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: 9.8396 ± 0.0003 Å
• b: 14.4614 ± 0.0005 Å
• c: 17.5182 ± 0.0005 Å
• α: 90°
• β: 95.273 ± 0.002°
• γ: 90°
• Cell volume: 2482.19 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No