Information card for entry 7129798

Structure parameters

• Formula: C23 H18 N4 Ni O2
• Calculated formula: C23 H18 N4 Ni O2
• Title of publication: C–H bond chlorination using nickel(ii) complexes of tetradentate amido-quinoline ligands
• Authors of publication: Adhikari, Sanjay; Sarkar, Aniruddha; Dhar, Basab Bijayi
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.456 ± 0.003 Å
• b: 14.261 ± 0.003 Å
• c: 13.237 ± 0.003 Å
• α: 90°
• β: 98.232 ± 0.009°
• γ: 90°
• Cell volume: 1953.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• 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: 0.0494
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No