Information card for entry 7224143

Structure parameters

• Formula: C15 H17 Cl Cu N2 O2
• Calculated formula: C15 H17 Cl Cu N2 O2
• SMILES: [Cu]12([N](=Cc3c(O2)ccc(c3)C)Cc2[n]1cccc2)Cl.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: 7.2905 ± 0.0008 Å
• b: 9.0921 ± 0.001 Å
• c: 11.8121 ± 0.0013 Å
• α: 100.605 ± 0.003°
• β: 98.485 ± 0.003°
• γ: 91.807 ± 0.003°
• Cell volume: 759.79 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No