Information card for entry 7061404

Structure parameters

• Formula: C26 H14 Br6 Cu N2 O2
• Calculated formula: C26 H14 Br6 Cu N2 O2
• Title of publication: Structure-based design and synthesis of copper(ii) complexes as antivirus drug candidates targeting SARS CoV-2 and HIV
• Authors of publication: Kumar, Sunil; Choudhary, Mukesh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 7128 - 7143
• a: 10.1185 ± 0.0013 Å
• b: 10.9809 ± 0.0012 Å
• c: 12.5803 ± 0.0013 Å
• α: 90°
• β: 103.795 ± 0.004°
• γ: 90°
• Cell volume: 1357.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0752
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No