Information card for entry 1551952

Structure parameters

• Formula: C30 H22 Ag2 Fe N6
• Calculated formula: C30 H22 Ag2 Fe N6
• Title of publication: Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks
• Authors of publication: Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.2235 ± 0.0006 Å
• b: 14.0648 ± 0.0007 Å
• c: 16.3631 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2813.2 ± 0.2 ų
• Cell temperature: 178 K
• Ambient diffraction temperature: 178 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No