Information card for entry 7061852

Structure parameters

• Formula: C21 H28 Cl2 N2 Ru S
• Calculated formula: C21 H28 Cl2 N2 Ru S
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]23456([n]1ccc(cc1)C(=S)N1CCCCC1)(Cl)Cl)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: 12.51 ± 0.0002 Å
• b: 14.7339 ± 0.0003 Å
• c: 12.876 ± 0.0003 Å
• α: 90°
• β: 108.979 ± 0.001°
• γ: 90°
• Cell volume: 2244.3 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No