Information card for entry 7063858

Structure parameters

• Formula: C28 H28 N4 Ni O5 S
• Calculated formula: C28 H28 N4 Ni O5 S
• Title of publication: Synthesis and design of manganese and nickel complexes with potential anticancer and antibacterial activities, and antiviral properties for therapeutic applications
• Authors of publication: Ahmad, Reyaz; Choudhary, Mukesh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 28
• Pages of publication: 12401 - 12422
• a: 10.6283 ± 0.0007 Å
• b: 10.9606 ± 0.0007 Å
• c: 12.4775 ± 0.0008 Å
• α: 86.96 ± 0.002°
• β: 87.375 ± 0.003°
• γ: 64.662 ± 0.002°
• Cell volume: 1311.43 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No