Information card for entry 7245133

Structure parameters

• Formula: C7 H8 Cs Fe N7 O
• Calculated formula: C7 H8 Cs Fe N7 O
• Title of publication: Near-room-temperature dielectric switch and thermal expansion anomaly in a new hybrid crystal: (Me2NH2)[CsFe(CN)5(NO)]
• Authors of publication: Li, Qi-Yao; Li, Mao-Fan; Chen, Xiao-Xian; Gong, Ya-Ping; Liu, De-Xuan; Xu, Wei-Jian; Zhang, Wei-Xiong
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.3288 ± 0.0003 Å
• b: 8.9675 ± 0.0003 Å
• c: 17.7852 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1328.35 ± 0.08 ų
• Cell temperature: 249.99 ± 0.13 K
• Ambient diffraction temperature: 249.99 ± 0.13 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No