Information card for entry 7064201

Structure parameters

• Formula: C21 H31 Br2 N3 Ni
• Calculated formula: C21 H31 Br2 N3 Ni
• Title of publication: A Comparison of Structure-Activity Relationships between Bis(imino)Pyridine Pincers of Nickel and Cobalt for Electrochemical Reduction of CO2
• Authors of publication: Das, Anjan; Mukhopadhyay, Titas Kumar; Maitra, Biswajit; Pal, Dibyendu; Mondal, Moumita
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 10.7374 ± 0.0006 Å
• b: 17.0804 ± 0.0009 Å
• c: 24.3869 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4472.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No