Information card for entry 4337949

Structure parameters

• Formula: C36 H24 Ag2 Fe N8
• Calculated formula: C36 H24 Ag2 Fe N8
• Title of publication: Guest-effected spin-crossover in a novel three-dimensional self-penetrating coordination polymer with permanent porosity.
• Authors of publication: Li, Jin-Yan; Yan, Zheng; Ni, Zhao-Ping; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 4039 - 4046
• a: 8.838 ± 0.002 Å
• b: 16.38 ± 0.005 Å
• c: 12.421 ± 0.004 Å
• α: 90°
• β: 108.642 ± 0.004°
• γ: 90°
• Cell volume: 1703.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No