Information card for entry 7063193

Structure parameters

• Formula: C38 H30 N8 O2 Zn
• Calculated formula: C38 H30 N8 O2 Zn
• Title of publication: Synthesis of Zn(ii) coordination complexes, their molecular design and docking with SARS-CoV-2 RBD protein and Omicron spike protein
• Authors of publication: Singh, Simranjeet; Choudhary, Mukesh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 11.1706 ± 0.0007 Å
• b: 16.9294 ± 0.0008 Å
• c: 17.7601 ± 0.001 Å
• α: 90°
• β: 98.832 ± 0.002°
• γ: 90°
• Cell volume: 3318.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0395
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No