Information card for entry 1565615

Structure parameters

• Formula: C20 H26 Hg N2 O4 S2
• Calculated formula: C20 H26 Hg N2 O4 S2
• SMILES: [Hg]12(Sc3c(C(O2)=O)cccc3)Sc2c(cccc2)C(O1)=O.[NH+](CC[NH+](C)C)(C)C
• Title of publication: Structural studies on thiosalicylate complexes of Zn(II) & Hg(II). First insight into Zn(II)-thiosalicylate complex as potential antibacterial, antibiofilm and anti-tumour agent
• Authors of publication: Nayak, Mousumi; Kumar Singh, Ashish; Prakash, Pradyot; Kant, Rajni; Bhattacharya, Subrato
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 501
• Pages of publication: 119263
• a: 12.1384 ± 0.0005 Å
• b: 65.81 ± 0.002 Å
• c: 11.2189 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8962 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No