Information card for entry 7249483

Structure parameters

• Chemical name: CuPMTT
• Formula: C21 H21.5 Cu2 N10.5 S8.98
• Calculated formula: C12 H8 Cu2 N6 S8.995
• Title of publication: Surface Functionalized Chalcogenides for Highly Selective Removal of Hg2+
• Authors of publication: Jie, Hao-Chen; Lan, Zhi-Qing; Li, Ke-Feng; Ye, Xiaoliang; Duan, Shui-Lin; Fu, Zhi-Hua; Wang, Guan-E; Xu, Gang
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 11.43 ± 0.002 Å
• b: 10.72 ± 0.002 Å
• c: 27.57 ± 0.006 Å
• α: 90°
• β: 97.95 ± 0.03°
• γ: 90°
• Cell volume: 3345.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1815
• Residual factor for significantly intense reflections: 0.1424
• Weighted residual factors for significantly intense reflections: 0.3384
• Weighted residual factors for all reflections included in the refinement: 0.3648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No