Information card for entry 7118832

Structure parameters

• Formula: C192 H240 B4 F16 Fe0.8 N36 Ni3.2
• Calculated formula: C192 H240 B4 F16 Fe0.8 N36 Ni3.2
• Title of publication: Metal-center exchange of tetrahedral cages: single crystal to single crystal and spin-crossover properties.
• Authors of publication: Zhang, Feng-Li; Chen, Jia-Qian; Qin, Long-Fang; Tian, Lei; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 26
• Pages of publication: 4796 - 4799
• a: 23.2506 ± 0.0008 Å
• b: 23.2506 ± 0.0008 Å
• c: 23.2506 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12569.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.1429
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.2277
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No