Information card for entry 7063145

Structure parameters

• Formula: C39 H50 Cu2 N6 O8 S2
• Calculated formula: C39 H50 Cu2 N6 O8 S2
• Title of publication: Micelle-Modulated Reactivity of Novel Copper(II) Complexes with Reduced L-Histidine Schiff Bases as Mimic Carboxylesterases
• Authors of publication: Ni, Tong; Zhang, Qin; Wang, Xiuyang; Xu, Bin; Zhou, Sheng-Bin; Zhang, Kaiming; Jiang, Weidong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 15.6411 ± 0.0015 Å
• b: 13.1656 ± 0.001 Å
• c: 11.8497 ± 0.0012 Å
• α: 90°
• β: 90.727 ± 0.009°
• γ: 90°
• Cell volume: 2439.9 ± 0.4 ų
• Cell temperature: 240 ± 0.1 K
• Ambient diffraction temperature: 240 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No