Information card for entry 7063508

Structure parameters

• Formula: C48 H34 Cl2 N4 Ni2 O2 P2
• Calculated formula: C48 H34 Cl2 N4 Ni2 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: 17.2416 ± 0.0006 Å
• b: 16.0245 ± 0.0004 Å
• c: 39.9762 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11044.9 ± 0.5 ų
• Cell temperature: 111.15 K
• Ambient diffraction temperature: 111.15 K
• Number of distinct elements: 7
• 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: 0.0539
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No