Information card for entry 7709780

Structure parameters

• Formula: C18 H17 Cl2 Co N3
• Calculated formula: C18 H17 Cl2 Co N3
• SMILES: [Co]12(Cl)(Cl)[n]3c(C[N]1(Cc1[n]2cccc1)c1ccccc1)cccc3
• 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: 8.6624 ± 0.0008 Å
• b: 17.5364 ± 0.0015 Å
• c: 11.9951 ± 0.0011 Å
• α: 90°
• β: 103.261 ± 0.003°
• γ: 90°
• Cell volume: 1773.6 ± 0.3 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No