Information card for entry 1572251

Structure parameters

• Formula: C22 H36 Cu Fe N O3 P2
• Calculated formula: C22 H36 Cu Fe N O3 P2
• Title of publication: New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2
• Authors of publication: Arévalo, Alma; Juárez-Francisco, Enrique; Roa, Diego A.; Flores-Alamo, Marcos; García, Juventino J.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 5394 - 5404
• a: 8.6246 ± 0.0007 Å
• b: 9.3841 ± 0.0006 Å
• c: 17.1248 ± 0.001 Å
• α: 91.601 ± 0.005°
• β: 97.997 ± 0.006°
• γ: 100.216 ± 0.006°
• Cell volume: 1348.77 ± 0.16 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No