Information card for entry 7708188

Structure parameters

• Formula: C156 H126 B4 Fe4 N30
• Calculated formula: C156 H126 B4 Fe4 N30
• Title of publication: An azido-bridged [FeII4] grid-like molecule showing spin crossover behaviour
• Authors of publication: Guo, Zhilin; You, Maolin; Deng, Yi-Fei; Liu, Qiang; Meng, Yin-Shan; Pikramenou, Zoe; Zhang, Yuan-Zhu
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 17.2401 ± 0.0003 Å
• b: 17.2401 ± 0.0003 Å
• c: 42.898 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12750.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No