Information card for entry 7063507

Structure parameters

• Formula: C24 H16 Br2 N4 O2
• Calculated formula: C24 H16 Br2 N4 O2
• Title of publication: Catalytic utility of bimetallic (pincer) PNN based nickel complex in the synthesis of quinolines and α-alkylation of ketones
• Authors of publication: Pandey, Ankit; Balakrishna, Maravanji Shivaramaiah
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 7.4221 ± 0.0006 Å
• b: 9.7208 ± 0.0008 Å
• c: 15.3202 ± 0.0014 Å
• α: 75.512 ± 0.003°
• β: 84.689 ± 0.003°
• γ: 82.27 ± 0.003°
• Cell volume: 1058.46 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No