Information card for entry 7130490

Structure parameters

• Formula: C74 H98 Ag18 N4 O33 P6 S8 Zn
• Calculated formula: C74 H98 Ag18 N4 O33 P6 S8 Zn
• Title of publication: Phosphate anion-induced silver-chalcogenide cluster-based metal organic frameworks as dual-functional catalysts for detoxifying chemical warfare agent simulant
• Authors of publication: Gong, Chun-Hua; Sun, Zhi-Bing; Cao, Man; Luo, Xi-Ming; Wu, Jie; Wang, Qian-You; Zang, Shuang-Quan; Mak, Thomas C. W.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 14.4671 ± 0.0002 Å
• b: 18.4226 ± 0.0002 Å
• c: 24.9929 ± 0.0003 Å
• α: 74.157 ± 0.001°
• β: 78.318 ± 0.001°
• γ: 81.167 ± 0.001°
• Cell volume: 6241.14 ± 0.14 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2354
• Weighted residual factors for all reflections included in the refinement: 0.2421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No