Information card for entry 7009263

Structure parameters

• Formula: C25 H18 Cl2 Cu2 N6 S
• Calculated formula: C25 H18 Cl2 Cu2 N6 S
• Title of publication: Self-assembled macrocyclic tetranuclear molecular square [Ni(HL)]44+ and molecular rectangle [Cu2Cl2L]2{H2L = bis[phenyl(2-pyridyl)methanone] thiocarbazone}
• Authors of publication: He Cheng; Duan Chun-ying; Fang Chen-jie; Liu Yong-jiang; Meng Qing-jin
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1207 - 1212
• a: 12.142 ± 0.003 Å
• b: 10.625 ± 0.002 Å
• c: 19.535 ± 0.006 Å
• α: 90°
• β: 90.43 ± 0.02°
• γ: 90°
• Cell volume: 2520.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.185
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections: 0.1519
• Weighted residual factors for significantly intense reflections: 0.1129
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No