Information card for entry 7244859

Structure parameters

• Formula: C24 H40 N6 Ni S4
• Calculated formula: C24 H40 N6 Ni S4
• Title of publication: Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction
• Authors of publication: Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 7.5511 ± 0.0004 Å
• b: 8.7 ± 0.0004 Å
• c: 12.6118 ± 0.0007 Å
• α: 86.36 ± 0.002°
• β: 75.717 ± 0.002°
• γ: 75.416 ± 0.002°
• Cell volume: 777.05 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No