Information card for entry 7224144

Structure parameters

• Formula: C40 H44 Cu2 N4 O4
• Calculated formula: C40 H44 Cu2 N4 O4
• SMILES: [Cu]123[N](=Cc4c(O2)ccc(c4)C)CCCC[N]2[Cu]4([N](CCCC[N]1=Cc1c(O3)ccc(c1)C)=Cc1c(O4)ccc(c1)C)Oc1c(C=2)cc(cc1)C
• 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: 24.219 ± 0.003 Å
• b: 10.2396 ± 0.0013 Å
• c: 15.6794 ± 0.0019 Å
• α: 90°
• β: 107.36 ± 0.002°
• γ: 90°
• Cell volume: 3711.3 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No