Information card for entry 1569603

Structure parameters

• Formula: C8 H14 Cd N4 S3
• Calculated formula: C8 H14 Cd N4 S3
• Title of publication: Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.
• Authors of publication: Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 34
• Pages of publication: 9041 - 9047
• a: 9.3109 ± 0.0007 Å
• b: 10.7164 ± 0.0006 Å
• c: 14.9364 ± 0.0011 Å
• α: 90°
• β: 90.634 ± 0.007°
• γ: 90°
• Cell volume: 1490.25 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2333
• Weighted residual factors for all reflections included in the refinement: 0.2818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No