Information card for entry 7061775

Structure parameters

• Chemical name: C8H7ClN3Ni0.5O0.5
• Formula: C8 H7 Cl N3 Ni0.5 O0.5
• Calculated formula: C8 H7 Cl N3 Ni0.5 O0.5
• Title of publication: A hemilabile 2-(2′-pyridyl)-imidazole based nickel(ii) complex: proton-coupled-electron-transfer, bactericidal and cytotoxicity studies
• Authors of publication: Paramanik, Krishnendu; Bandopadhyay, Nilaj; Debnath, Rakesh; Roy, Suvojit; Kotakonda, Muddukrishnaiah; Adak, Mrinal Kanti; Biswas, Bhaskar; Sankar Das, Hari
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 17517 - 17526
• a: 9.07 ± 0.06 Å
• b: 15.98 ± 0.11 Å
• c: 12.33 ± 0.09 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1787 ± 2 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1349
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No