Information card for entry 7224145

Structure parameters

• Formula: C22 H28 Br4 Cl2 Cu N4 O4
• Calculated formula: C22 H28 Br4 Cl2 Cu N4 O4
• SMILES: c12c(c(cc(c1)Cl)Br)O[Cu]1([N](=C2)CC[NH2+]CCO)[N](=Cc2c(c(cc(c2)Cl)Br)O1)CC[NH2+]CCO.[Br-].[Br-]
• 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: 7.7486 ± 0.0008 Å
• b: 23.271 ± 0.003 Å
• c: 8.115 ± 0.001 Å
• α: 90°
• β: 94.353 ± 0.011°
• γ: 90°
• Cell volume: 1459.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1221
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No