Information card for entry 7119188

Structure parameters

• Formula: C22 H24 Cl2 Co N8 O4
• Calculated formula: C22 H24 Cl2 Co N8 O4
• SMILES: c1ccc2c3c(ccc2)C=[N]2[Co]45([n]13)([N](=Cc1cccc3ccc[n]4c13)NC(N)=[O]5)[O]=C(N2)N.[Cl-].O.[Cl-].O
• Title of publication: (Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines
• Authors of publication: Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 103
• a: 21.752 ± 0.003 Å
• b: 10.0815 ± 0.0009 Å
• c: 13.905 ± 0.002 Å
• α: 90°
• β: 124.39 ± 0.02°
• γ: 90°
• Cell volume: 2516.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.710689 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No