Information card for entry 7063146

Structure parameters

• Formula: C138 H167 Br8 Cu8 N37 O32
• Calculated formula: C138 H167 Br8 Cu8 N37 O32
• 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, Shengbin; Zhang, Kaiming; Jiang, Weidong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 18
• Pages of publication: 8445 - 8453
• a: 19.0845 ± 0.0002 Å
• b: 14.0567 ± 0.0002 Å
• c: 35.0169 ± 0.0003 Å
• α: 90°
• β: 91.231 ± 0.001°
• γ: 90°
• Cell volume: 9391.64 ± 0.18 ų
• Cell temperature: 240.01 ± 0.1 K
• Ambient diffraction temperature: 240.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No