Information card for entry 1557726

Structure parameters

• Common name: Webb/GKY-41 [HMeThia][RuCl4(dmso)(MeThia)]
• Formula: C10 H17 Cl4 N2 O Ru S3
• Calculated formula: C10 H17 Cl4 N2 O Ru S3
• SMILES: [Ru](Cl)(Cl)(Cl)(Cl)([S](=O)(C)C)[n]1c(scc1)C.s1c([nH+]cc1)C
• Title of publication: Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.
• Authors of publication: Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 491 - 503
• a: 8.0381 ± 0.0003 Å
• b: 8.1691 ± 0.0003 Å
• c: 8.3951 ± 0.0003 Å
• α: 85.2736 ± 0.0016°
• β: 71.5044 ± 0.0015°
• γ: 61.7748 ± 0.0014°
• Cell volume: 459.11 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No