Information card for entry 7132880

Structure parameters

• Formula: C57 H43 Au Br Cl18 Fe N6 O
• Calculated formula: C48 H32 Au Br Fe N6
• Title of publication: Cyanometallic charge engineering in spin crossover metal-organic frameworks.
• Authors of publication: Lyu, Bang-Heng; Xie, Kai-Ping; Cui, Wen; Chen, Yan-Cong; Chen, Guan-Xi; Wu, Si-Guo; Tong, Ming-Liang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 32
• Pages of publication: 4318 - 4321
• a: 10.4824 ± 0.0005 Å
• b: 14.6177 ± 0.0009 Å
• c: 17.0399 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2611 ± 0.2 ų
• Cell temperature: 255 K
• Ambient diffraction temperature: 255 K
• Number of distinct elements: 8
• Space group number: 47
• Hermann-Mauguin space group symbol: P m m m
• Hall space group symbol: -P 2 2
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2638
• Weighted residual factors for all reflections included in the refinement: 0.2721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No