Information card for entry 7129797

Structure parameters

• Formula: C21 H15 N5 Ni O2
• Calculated formula: C21 H15 N5 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: 8.0529 ± 0.0019 Å
• b: 10.359 ± 0.003 Å
• c: 11.497 ± 0.003 Å
• α: 96.46 ± 0.014°
• β: 109.436 ± 0.01°
• γ: 103.717 ± 0.01°
• Cell volume: 859.2 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 298.89 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: 0.0463
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No