Information card for entry 7050904

Structure parameters

• Formula: C60 H62 F24 N24 Ni4 O P4 S4
• Calculated formula: C60 H62.01 F24 N24 Ni4 O P4 S4
• 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: 14.563 ± 0.006 Å
• b: 40.993 ± 0.016 Å
• c: 15.378 ± 0.006 Å
• α: 90°
• β: 100.376 ± 0.008°
• γ: 90°
• Cell volume: 9030 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1842
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No