Information card for entry 7714989

Structure parameters

• Formula: C36 H26 Cl Co F12 I N5 O2 P2
• Calculated formula: C36 H26 Cl Co F12 I N5 O2 P2
• SMILES: Ic1cc(Cl)c2c3[n]([Co]45(Oc13)([n]1cccc3ccc6c([n]5ccc6)c13)[n]1c3c(ccc1)ccc1ccc[n]4c31)ccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC(C)=O
• Title of publication: Synthesis, characterization, and cancer cell-selective cytotoxicity of mixed-ligand cobalt(III) complexes of 8-hydroxyquinolines and phenanthroline bases.
• Authors of publication: Deka, Banashree; Sarkar, Tukki; Bhattacharyya, Arnab; Butcher, Ray J.; Banerjee, Samya; Deka, Sasanka; Saikia, Kandarpa K.; Hussain, Akhtar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 4952 - 4961
• a: 13.3417 ± 0.0005 Å
• b: 17.9204 ± 0.0007 Å
• c: 16.6565 ± 0.0006 Å
• α: 90°
• β: 92.157 ± 0.002°
• γ: 90°
• Cell volume: 3979.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1654
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No