Information card for entry 7056786

Structure parameters

• Formula: C32 H60 Ag N9 O17
• Calculated formula: C32 H60 Ag N9 O17
• Title of publication: Single X-ray crystal structure, DFT studies and topoisomerase I inhibition activity of a tailored ionic Ag(i) nalidixic acid‒piperazinium drug entity specific for pancreatic cancer cells
• Authors of publication: Yousuf, Imtiyaz; Usman, Mohammad; Ahmad, Musheer; Tabassum, Sartaj; Arjmand, Farukh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 506
• a: 7.607 ± 0.005 Å
• b: 11.845 ± 0.005 Å
• c: 12.098 ± 0.005 Å
• α: 85.314 ± 0.005°
• β: 76.322 ± 0.005°
• γ: 84.973 ± 0.005°
• Cell volume: 1053 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0704
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No