Information card for entry 7124145

Structure parameters

• Formula: C45 H33 Cu3 N15 O18
• Calculated formula: C45 H33 Cu3 N15 O18
• Title of publication: Chemical biology suggests pleiotropic effects for a novel hexanuclear copper(II) complex inducing apoptosis in hepatocellular carcinoma cells
• Authors of publication: Zhang, Junshuai; Hu, Jiyong; Peng, Kun; Song, Wei; Zhi, Shuangcheng; Yang, Endian; Zhao, Jin'an; Hou, Hongwei
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.1943 ± 0.0004 Å
• b: 24.9979 ± 0.001 Å
• c: 19.9314 ± 0.0007 Å
• α: 90°
• β: 94.521 ± 0.003°
• γ: 90°
• Cell volume: 6056.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1613
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2623
• Weighted residual factors for all reflections included in the refinement: 0.3155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No