Information card for entry 7009262

Structure parameters

• Formula: C27 H25.5 F6 N6 Ni O1.25 P S
• Calculated formula: C27 H25.5 F6 N6 Ni O1.25 P 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: 27.045 ± 0.009 Å
• b: 16.385 ± 0.007 Å
• c: 29.595 ± 0.009 Å
• α: 90°
• β: 109.38 ± 0.02°
• γ: 90°
• Cell volume: 12371 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.263
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections: 0.2556
• Weighted residual factors for significantly intense reflections: 0.1623
• Goodness-of-fit parameter for all reflections: 0.819
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No