Information card for entry 7050905

Structure parameters

• Formula: C60 H61 B4 F16 N24 O0.5 S4 Zn4
• Calculated formula: C60 H60 B4 F16 N24 O0.5 S4 Zn4
• Title of publication: Self-assembly of a novel mixed-valence tetranuclear molecular square [FeII3FeIIIL2(HL)2]3+ and [M(HL)]44+ squares (M=Ni, Zn and Cd){H2L=bis(2-acetylpyridine) thiocarbazone}
• Authors of publication: Han Gang; Guo Dong; Duan Chun-Ying; Mo Hong; Meng Qing-jin
• Journal of publication: New J. Chem.
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1371 - 1377
• a: 13.448 ± 0.005 Å
• b: 14.955 ± 0.005 Å
• c: 21.554 ± 0.007 Å
• α: 87.124 ± 0.006°
• β: 80.677 ± 0.006°
• γ: 71.389 ± 0.006°
• Cell volume: 4054 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1702
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No