Information card for entry 7063506

Structure parameters

• Formula: C48 H36 N4 O2 P2
• Calculated formula: C48 H36 N4 O2 P2
• 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: 9.147 ± 0.002 Å
• b: 13.35 ± 0.003 Å
• c: 16.012 ± 0.004 Å
• α: 90°
• β: 91.037 ± 0.008°
• γ: 90°
• Cell volume: 1954.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No