Information card for entry 7061855

Structure parameters

• Formula: C20 H26 Cl2 N2 O Ru S
• Calculated formula: C20 H26 Cl2 N2 O Ru S
• SMILES: [Ru]12345(Cl)(Cl)([n]6ccc(C(=S)N7CCOCC7)cc6)[c]6([cH]1[cH]2[c]4([cH]5[cH]36)C)C(C)C
• 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: 13.37 ± 0.0007 Å
• b: 14.7014 ± 0.0007 Å
• c: 12.4251 ± 0.0006 Å
• α: 90°
• β: 114.256 ± 0.006°
• γ: 90°
• Cell volume: 2226.6 ± 0.2 ų
• Cell temperature: 297.04 ± 0.14 K
• Ambient diffraction temperature: 297.04 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No