Information card for entry 4518265

Structure parameters

• Formula: C29 H9 Ca N O13.5 Zn
• Calculated formula: C29 H9 Ca N O13.5 Zn
• Title of publication: Highly Robust 3s-3d {CaZn}-Organic Framework for Excellent Catalytic Performance on Chemical Fixation of CO₂ and Knoevenagel Condensation Reaction.
• Authors of publication: Chen, Hongtai; Fan, Liming; Zhang, Xiutang
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 48.202 ± 0.003 Å
• b: 48.202 Å
• c: 13.401 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 26965 ± 2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.1268
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.2221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No