Information card for entry 7251765

Structure parameters

• Formula: C52 H46 F6 N2 Ni O8
• Calculated formula: C52 H46 F6 N2 Ni O8
• Title of publication: Crystallographic and computational investigation of a bent-core Schiff base Ni(ii) complex with DNA and protein binding studies
• Authors of publication: Alia, Kamrun Nahar; Debbarma, Bugra Koknarugmani; Nath, Sourav; Roy, Subhadip; Kennedy, Alan R.; Adhikari, Suman; Kumar, Malavika S.; Das, Avijit Kumar; Begum, Samiyara; Mohiuddin, Golam
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 12547 - 12557
• a: 6.5661 ± 0.0002 Å
• b: 11.9787 ± 0.0003 Å
• c: 15.703 ± 0.0006 Å
• α: 68.636 ± 0.003°
• β: 87.69 ± 0.003°
• γ: 77.073 ± 0.003°
• Cell volume: 1119.92 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0516
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0437
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No