Information card for entry 7709781

Structure parameters

• Formula: C24 H23 Cl Co N4 O3
• Calculated formula: C24 H23 Cl Co N4 O3
• SMILES: [Co]123(Cl)(OC(=O)c4[n]2cccc4)[n]2c(C[N]1(c1ccccc1)Cc1[n]3cccc1)cccc2.O
• Title of publication: Mononuclear Co(II) polypyridyl complexes: synthesis, molecular structure, DNA binding/cleavage, radical scavenging, docking studies and anticancer activities
• Authors of publication: Karumban, Kalai Selvan; Muley, Arabinda; Raut, Rajnikant; Gupta, Parth; Giri, Bishnubasu; Kumbhakar, Sadananda; Misra, Ashish; Maji, Somnath
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.4536 ± 0.0005 Å
• b: 13.5852 ± 0.0005 Å
• c: 15.5748 ± 0.0007 Å
• α: 90°
• β: 108.507 ± 0.005°
• γ: 90°
• Cell volume: 2298.1 ± 0.18 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 6
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No