Information card for entry 7063700

Structure parameters

• Formula: C26 H16 Cl N3 O2 S
• Calculated formula: C26 H16 Cl N3 O2 S
• Title of publication: Square planar mononuclear Ni(ii) complexes of functionalized 2,2′:6′,2′′-terpyridines: BSA/DNA binding and anticancer activity
• Authors of publication: Panicker, Rakesh R.; John, Martin Luther; N., Daphne Morrison; Yogendra Varma, Pralayakaveri; S., Dharani; Pandya, Chayan; Anand, A. S. Vijai; Mondal, Joydip; Sivaramakrishna, Akella
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 5883 - 5900
• a: 8.238 ± 0.002 Å
• b: 10.517 ± 0.003 Å
• c: 13.479 ± 0.004 Å
• α: 96.239 ± 0.01°
• β: 102.378 ± 0.01°
• γ: 99.049 ± 0.01°
• Cell volume: 1114.1 ± 0.5 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0808
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No