Information card for entry 7062785

Structure parameters

• Formula: C16 H16 Ce N O12
• Calculated formula: C16 H9 Ce N O9
• Title of publication: A dual-functional 3D cerium MOF heterogeneous catalyst for catalysing Knoevenagel condensation and cyanosilylation
• Authors of publication: Zhao, Peiran; Liu, Yuqian; He, Cheng; Duan, Chunying
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 19114 - 19121
• a: 8.9711 ± 0.0017 Å
• b: 13.666 ± 0.003 Å
• c: 14.756 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1809.1 ± 0.6 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0642
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No