Information card for entry 7236643

Structure parameters

• Formula: C30 H30 N0.03 O10 S8 Zr
• Calculated formula: C17.05 H6.5 N3.324 O4.5 S1.5 Zr0.75
• Title of publication: Improving stability against desolvation and mercury removal performance of Zr(iv)‒carboxylate frameworks by using bulky sulfur functions
• Authors of publication: He, Yonghe; Hou, Yun-Long; Wong, Yan-Lung; Xiao, Ran; Li, Mu-Qing; Hao, Zhifeng; Huang, Jian; Wang, Lei; Zeller, Matthias; He, Jun; Xu, Zhengtao
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 1648
• a: 32.8 ± 0.002 Å
• b: 32.8 ± 0.002 Å
• c: 32.8 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 35288 ± 4 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 ± 2 K
• Number of distinct elements: 6
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No