Information card for entry 7036890

Structure parameters

• Formula: C10 H16 Fe K N8
• Calculated formula: C10 H16 Fe K N8
• 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: 8.2769 ± 0.0004 Å
• b: 8.2769 ± 0.0004 Å
• c: 11.6742 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 799.77 ± 0.08 ų
• Cell temperature: 165 ± 2 K
• Ambient diffraction temperature: 165 ± 2 K
• Number of distinct elements: 5
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No