Information card for entry 7250447

Structure parameters

• Formula: C5 H14 Cl4 Cu N2
• Calculated formula: C5 H14 Cl4 Cu N2
• Title of publication: A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4]
• Authors of publication: Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 27
• Pages of publication: 4707 - 4712
• a: 8.9767 ± 0.0009 Å
• b: 9.9167 ± 0.0011 Å
• c: 13.7275 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1222 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0347
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No