Information card for entry 7709768

Structure parameters

• Formula: C38 H44 Cl4 Cu N4 O5 S2
• Calculated formula: C38 H44 Cl4 Cu N4 O5 S2
• Title of publication: A bioinspired redox-modulating copper(II)-macrocyclic complex bearing non-steroidal anti-inflammatory drugs with anti-cancer stem cell activity
• Authors of publication: Johnson, Alice; Iffland, Linda; Northcote-Smith, Joshua; Singh, Kuldip; Ortu, Fabrizio; Apfel, Ulf-Peter; Suntharalingam, Kogularamanan
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 19.076 ± 0.005 Å
• b: 15.842 ± 0.005 Å
• c: 15.133 ± 0.004 Å
• α: 90°
• β: 120.693 ± 0.004°
• γ: 90°
• Cell volume: 3932.6 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No