Information card for entry 7224142

Structure parameters

• Formula: C30 H44 Cl4 Cu2 N4 O4
• Calculated formula: C30 H44 Cl4 Cu2 N4 O4
• SMILES: C(CC[NH+]1CCOCC1)[N]1[Cu]2(Cl)(Cl)[O](c3c(cc(cc3)C)C=1)[Cu]1([N](=Cc3c(ccc(c3)C)[O]21)CCC[NH+]1CCOCC1)(Cl)Cl
• 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: 11.188 ± 0.002 Å
• b: 16.085 ± 0.003 Å
• c: 10.0808 ± 0.0016 Å
• α: 90°
• β: 115.675 ± 0.002°
• γ: 90°
• Cell volume: 1635 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No