Information card for entry 7227228

Structure parameters

• Formula: C56 H48 Cd Cl2 N10 O6 S2
• Calculated formula: C56 H48 Cd Cl2 N10 O6 S2
• SMILES: [Cd]123([N](NC(c4cccs4)=[O]2)=C(c2c([O-])n(nc2C)c2ccccc2)c2ccc(Cl)cc2)([N](N=C(c2cccs2)O3)=C(c2c(n(nc2C)c2ccccc2)O)c2ccc(Cl)cc2)[n]2ccccc2c2[n]1cccc2.CO.CO
• Title of publication: Cadmium(II) complexes with 4-acyl pyrazolone derivative and co-ligands: crystal structure and antitumor activity
• Authors of publication: Luo, Hua-Ying; Li, Jin-Yu; Li, Yue; Zhang, Li; Li, Jin-Yao; jia, dianzeng; Xu, Guan-Cheng
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.1579 ± 0.0014 Å
• b: 20.045 ± 0.002 Å
• c: 21.961 ± 0.002 Å
• α: 90°
• β: 94.411 ± 0.002°
• γ: 90°
• Cell volume: 5336.2 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1123
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No