Information card for entry 7224141

Structure parameters

• Formula: C22 H24 Cl2 Cu2 N2 O2
• Calculated formula: C22 H24 Cl2 Cu2 N2 O2
• SMILES: Cl[Cu]12[N](=Cc3c(ccc(c3)C)[O]1[Cu]1([N](=Cc3c(ccc(c3)C)[O]21)C1CC1)Cl)C1CC1
• 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: 7.84 ± 0.002 Å
• b: 10.704 ± 0.003 Å
• c: 13.449 ± 0.002 Å
• α: 90°
• β: 93.458 ± 0.003°
• γ: 90°
• Cell volume: 1126.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2137
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No