Information card for entry 7236295

Structure parameters

• Formula: C96 H42 O16 Zr3
• Calculated formula: C96 H42 O16 Zr3
• Title of publication: Highly efficient visible-light-driven CO2 reduction to formate by a new anthracene-based zirconium MOF via dual catalytic routes
• Authors of publication: Chen, Dashu; Xing, Hongzhu; Wang, Chungang; Su, Zhongmin
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 2657
• a: 28.1333 ± 0.0009 Å
• b: 28.1333 ± 0.0009 Å
• c: 69.411 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 47577 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No