Information card for entry 7062865

Structure parameters

• Chemical name: [3,5-bis(1-benzylpyridin-1-ium-3-yl)-2,6-dioxo-4-(λ^2^-chloranidyl)-3,5,11 λ^4^-triaza-4-zincatricyclo[5.3.1.0^4^,^11^]undeca-1(11),7,9-trien-4-yl]- λ^2^-chloranide hydrate or [1-benzyl-3-{6-[(1-benzylpyridin-1-ium-3-yl)carbamoyl]pyridine-2-amido}pyridin -1-ium] zinc(ii) dichloride hydrate
• Formula: C62 H52 Cl4 N10 O5 Zn2
• Calculated formula: C62 H52 Cl4 N10 O5 Zn2
• Title of publication: Zn(ii) and Cd(ii) pincer complexes bearing meta alkylated pyridinium amidates; synthesis & preliminary anticancer studies
• Authors of publication: Masood, Sara; Babar, Usman Munir; Chaudhry, Gul-e-Saba; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Zafar, M. Naveed
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 47
• Pages of publication: 21845 - 21853
• a: 9.1405 ± 0.0014 Å
• b: 13.016 ± 0.002 Å
• c: 13.591 ± 0.003 Å
• α: 107.064 ± 0.005°
• β: 101.287 ± 0.005°
• γ: 99.98 ± 0.006°
• Cell volume: 1469.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1239
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No