Information card for entry 7063930

Structure parameters

• Chemical name: A3 Complex
• Formula: C5 H6 Cl Co0.5 N2 O
• Calculated formula: C5 H6 Cl Co0.5 N2 O
• Title of publication: Analysis of copper 4(5)-imidazolecarboxaldehyde derivatives by ss-NMR, EPR, theoretical calculations and their advanced oxidation applications
• Authors of publication: Crespi, Ayelén F.; Pérez, Ana L.; Brondino, Carlos D.; Zomero, Paula N.; Vega, Daniel; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 33
• Pages of publication: 14473 - 14486
• a: 6.6537 ± 0.0013 Å
• b: 14.404 ± 0.003 Å
• c: 7.3521 ± 0.0015 Å
• α: 90°
• β: 110.64 ± 0.03°
• γ: 90°
• Cell volume: 659.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No