Information card for entry 7123188

Structure parameters

• Formula: C55.22 H59.63 Cl0.88 Eu Hg0.44 N3 O10.61 S6
• Calculated formula: C55.22 H59.6288 Cl0.8786 Eu Hg0.4393 N3 O10.61 S6
• Title of publication: Janus Triple Tripods Build up a Microporous Manifold for HgCl2 and I2 Uptake
• Authors of publication: He, Yonghe; Huang, Mengjiao; Deng, Xiangling; Sheng Xian, CHENG; Wong, Yan-Lung; Hou, Yunlong; Zeller, Matthias; He, Jun; Xu, Zhengtao
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 47.818 ± 0.003 Å
• b: 9.5341 ± 0.0006 Å
• c: 32.3065 ± 0.0017 Å
• α: 90°
• β: 122.338 ± 0.003°
• γ: 90°
• Cell volume: 12444.3 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No