Information card for entry 7224147

Structure parameters

• Formula: C24 H24 Br2 Cl2 Cu N2 O2
• Calculated formula: C24 H24 Br2 Cl2 Cu N2 O2
• SMILES: [Cu]12([N](=Cc3c(O1)c(cc(c3)Cl)Br)C1CCCC1)[N](=Cc1c(c(cc(c1)Cl)Br)O2)C1CCCC1
• 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: 9.2353 ± 0.0008 Å
• b: 12.4758 ± 0.0006 Å
• c: 11.1404 ± 0.0009 Å
• α: 90°
• β: 109.349 ± 0.003°
• γ: 90°
• Cell volume: 1211.07 ± 0.16 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: 0.0536
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No