Information card for entry 7034710

Structure parameters

• Chemical name: Zr-TCPS
• Formula: C28 H16 O16 Si Zr3
• Calculated formula: C28 H16 O16 Si Zr3
• Title of publication: A Zr metal-organic framework based on tetrakis(4-carboxyphenyl) silane and factors affecting the hydrothermal stability of Zr-MOFs.
• Authors of publication: Wang, Shufen; Wang, Jingjing; Cheng, Weiwei; Yang, Xiaowei; Zhang, Zaiyong; Xu, Yan; Liu, Hongke; Wu, Yong; Fang, Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 8049 - 8061
• a: 15.228 ± 0.003 Å
• b: 15.228 ± 0.003 Å
• c: 28.791 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6676 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No