Information card for entry 7716303

Structure parameters

• Formula: C48 H25 Cu Fe N4 O9
• Calculated formula: C48 H25 Cu Fe N4 O9
• Title of publication: A novel porphyrin MOF catalyst for efficient conversion of CO₂ with propargyl amines.
• Authors of publication: Zhang, Zhitao; Shen, Kesheng; Zhang, Qian; Duan, Chunying; Jing, Xu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10060 - 10064
• a: 8.1724 ± 0.001 Å
• b: 26.209 ± 0.002 Å
• c: 23.09 ± 0.002 Å
• α: 90°
• β: 91.734 ± 0.006°
• γ: 90°
• Cell volume: 4943.4 ± 0.8 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250.15 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.1972
• Residual factor for significantly intense reflections: 0.1352
• Weighted residual factors for significantly intense reflections: 0.3214
• Weighted residual factors for all reflections included in the refinement: 0.3778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No