Information card for entry 7224140

Structure parameters

• Formula: C32 H52 Cu N6 O12
• Calculated formula: C32 H52 Cu N6 O12
• SMILES: c12cc(C)ccc2O[Cu]2(Oc3c(cc(cc3)C)C=[N]2CCC[NH+]2CCOCC2)N(C1)CCC[NH+]1CCOCC1.N(=O)(=O)[O-].OC.N(=O)(=O)[O-].OC
• Title of publication: Inhibition studies of Helicobacter pylori urease with Schiff base copper(II) complexes
• Authors of publication: You, Zhonglu; Liu, Mingyang; Wang, Cunfang; Sheng, Gui-Hua; Zhao, Xinlu; Qu, Dan; Niu, Fang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.7015 ± 0.0004 Å
• b: 15.2568 ± 0.0009 Å
• c: 17.9245 ± 0.0011 Å
• α: 90°
• β: 94.912 ± 0.002°
• γ: 90°
• Cell volume: 1825.93 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No