Information card for entry 7719569

Structure parameters

• Formula: C60 H28 Br8 Ca2 Cl2 N8 O4
• Calculated formula: C60 H28 Br8 Ca2 Cl2 N8 O4
• Title of publication: Three novel dinuclear calcium(II) complexes with 5,7-dihalo-8-quinolinolato showing potent anticancer activity.
• Authors of publication: Qin, Si-Mei; Xu, Yue; Huang, Xiao-Mei; Tan, Ming-Xiong; Wei, Qing-Min; Luo, Zhi-Hui; Liang, Hong; Qin, Qi-Pin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 36
• Pages of publication: 13730 - 13737
• a: 10.0812 ± 0.0002 Å
• b: 14.0888 ± 0.0003 Å
• c: 20.4266 ± 0.0004 Å
• α: 90°
• β: 96.818 ± 0.001°
• γ: 90°
• Cell volume: 2880.71 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No