Information card for entry 7036888

Structure parameters

• Formula: C8 H12 Fe K N8
• Calculated formula: C8 H12 Fe K N8
• SMILES: C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.[K+].C[NH3+].C[NH3+]
• Title of publication: Cation-dependent structural phase transition and dielectric response in a family of cyano-bridged perovskite-like coordination polymers
• Authors of publication: Xu, Wei-Jian; Chen, Shao-Li; Hu, Zhi-Tao; Lin, Rui-Biao; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming
• Journal of publication: Dalton Trans.
• Year of publication: 2015
• a: 13.702 ± 0.003 Å
• b: 7.9004 ± 0.0018 Å
• c: 13.703 ± 0.003 Å
• α: 90°
• β: 108.642 ± 0.006°
• γ: 90°
• Cell volume: 1405.5 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No