Information card for entry 4517764

Structure parameters

• Formula: C14 H11 N6 Ni S4
• Calculated formula: C14 H11 N6 Ni S4
• Title of publication: A promising phase change material with record high ionic conductivity over a wide temperature range of plastic crystal phase and magnetic thermal memory effect.
• Authors of publication: Qian, Yin; Shao, Dong-Sheng; Yao, Wan-Wan; Yao, Zhi-Yuan; Wang, Lifeng; Liu, Wenlong; Ren, Xiao-Ming
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 42.1499 ± 0.0014 Å
• b: 7.5617 ± 0.0002 Å
• c: 28.9285 ± 0.001 Å
• α: 90°
• β: 127.74 ± 0.001°
• γ: 90°
• Cell volume: 7291.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No