Information card for entry 7714377

Structure parameters

• Formula: C36 H27 Cl Co N5 O6
• Calculated formula: C36 H27 Cl Co N5 O6
• SMILES: [Co]1234(Oc5c([N]4=Cc4c(O2)cccc4)cccc5)[n]2c(c4[n]1c(cc(c4)c1ccccc1)c1[n]3cccc1)cccc2.Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Polypyridyl-based Co(III) Complexes of Vitamin B6 Schiff base for Photoactivated Antibacterial Therapy
• Authors of publication: Mandal, Apurba; Rai, Rohit; Saha, Sukanta; Kushwaha, Rajesh; Li , Wei; Gogoi, Hemonta; Mandal, Arif Ali; Yadav, Ashish Kumar; Huang, Huaiyi; Dutta, Arnab; Dhar, Prodyut; Banerjee, Samya
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 14.9257 ± 0.0011 Å
• b: 25.67 ± 0.002 Å
• c: 9.3216 ± 0.0007 Å
• α: 90°
• β: 121.295 ± 0.002°
• γ: 90°
• Cell volume: 3051.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0418
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No