Information card for entry 7709783

Structure parameters

• Formula: C28 H25 Cl Co F6 N5 P
• Calculated formula: C28 H25 Cl Co F6 N5 P
• SMILES: [Co]123(Cl)([N](c4ccccc4)(Cc4[n]2cccc4)Cc2[n]1cccc2)[n]1c(c2[n]3cccc2)cccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 9.2731 ± 0.0004 Å
• b: 12.8142 ± 0.0006 Å
• c: 15.5282 ± 0.0007 Å
• α: 113.007 ± 0.004°
• β: 96.28 ± 0.004°
• γ: 92.907 ± 0.004°
• Cell volume: 1679.38 ± 0.14 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No