Information card for entry 1569601

Structure parameters

• Formula: C11 Cd N4 S3
• Calculated formula: C11.0002 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: 9.989 ± 0.002 Å
• b: 9.989 ± 0.002 Å
• c: 10.798 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 933.1 ± 0.3 ų
• Cell temperature: 393.01 ± 0.1 K
• Ambient diffraction temperature: 393.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1787
• Residual factor for significantly intense reflections: 0.1401
• Weighted residual factors for significantly intense reflections: 0.2672
• Weighted residual factors for all reflections included in the refinement: 0.283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No