Information card for entry 7132274

Structure parameters

• Chemical name: Cu(L3)2
• Formula: C44 H36 Cl2 Cu N4 O4
• Calculated formula: C44 H35.5 Cl2 Cu N4 O4
• SMILES: [Cu]123(Oc4c(cc(Cl)cc4)C=[N]3c3ccccc3C(=O)N[C@@H](c3ccccc3)C)[O]=C(N[C@@H](c3ccccc3)C)c3c([N]2=Cc2cc(Cl)ccc2O1)cccc3
• Title of publication: Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy
• Authors of publication: Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 13.9547 ± 0.0013 Å
• b: 16.5604 ± 0.0016 Å
• c: 16.4837 ± 0.0015 Å
• α: 90°
• β: 100.864 ± 0.003°
• γ: 90°
• Cell volume: 3741 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0503
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No