Information card for entry 1574368

Structure parameters

• Formula: C17 H17 Au2 Fe N7 O
• Calculated formula: C17 H17 Au2 Fe N7 O
• Title of publication: Switchable colossal anisotropic thermal expansion in a spin crossover framework
• Authors of publication: Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 8845 - 8852
• a: 12.7477 ± 0.0006 Å
• b: 15.3811 ± 0.0009 Å
• c: 22.2404 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4360.8 ± 0.4 ų
• Cell temperature: 225 ± 0.1 K
• Ambient diffraction temperature: 225 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No