Information card for entry 7059057

Structure parameters

• Formula: C38 H32 Cu2 I2 N14 S2
• Calculated formula: C38 H32 Cu2 I2 N14 S2
• Title of publication: In vitro and in vivo anticancer activity of thiourea tripyridyl dinuclear Cu(II) complex
• Authors of publication: Jin, Jinjin; Hu, Jiyong; Qin, Yue; Zhang, Junshuai; Zhao, Jin'an; Yue, Liang; Hou, Hongwei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 48
• Pages of publication: 19286 - 19297
• a: 8.816 ± 0.0003 Å
• b: 10.8974 ± 0.0004 Å
• c: 11.8642 ± 0.0004 Å
• α: 105.415 ± 0.003°
• β: 107.187 ± 0.003°
• γ: 94.746 ± 0.003°
• Cell volume: 1033.52 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No