Information card for entry 7061856

Structure parameters

• Formula: C20 H28 Cl2 N2 O Ru S2
• Calculated formula: C20 H28 Cl2 N2 O Ru S2
• SMILES: [Ru]12345(Cl)(Cl)([c]6(C)[cH]2[cH]5[c]1([cH]4[cH]36)C(C)C)[n]1ccc(cc1)C(=S)N1CCSCC1.O
• Title of publication: Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies
• Authors of publication: Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 40
• Pages of publication: 19241 - 19253
• a: 6.3809 ± 0.0003 Å
• b: 15.1058 ± 0.0006 Å
• c: 23.3279 ± 0.001 Å
• α: 90°
• β: 91.467 ± 0.002°
• γ: 90°
• Cell volume: 2247.81 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0229
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No