Information card for entry 7119398

Structure parameters

• Formula: C24 H20 N0 O12 P4 Si Zr
• Calculated formula: C24 H20 O12 P4 Si Zr
• Title of publication: An ultrastable zirconium-phosphonate framework as bifunctional catalyst for highly active CO2 chemical transformation.
• Authors of publication: Gao, Chao-Ying; Ai, Jing; Tian, Hong-Rui; Wu, Dai; Sun, Zhong-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 1293 - 1296
• a: 9.9688 ± 0.0002 Å
• b: 19.2157 ± 0.0004 Å
• c: 14.5392 ± 0.0003 Å
• α: 90°
• β: 99.702 ± 0.002°
• γ: 90°
• Cell volume: 2745.26 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No