Information card for entry 1557727

Structure parameters

• Common name: Webb/SF-53-17 [NH2thiazolium][RuCl4(DMSO)(NH2Thiazole)] from MeOH/Ether
• Formula: C9.44 H19.44 Cl4 N4 O1.78 Ru S3
• Calculated formula: C9.4338 H19.432 Cl4 N4 O1.7822 Ru S3
• 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: 10.805 ± 0.0006 Å
• b: 10.9929 ± 0.0006 Å
• c: 17.0331 ± 0.001 Å
• α: 90°
• β: 101.318 ± 0.004°
• γ: 90°
• Cell volume: 1983.8 ± 0.2 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: 0.0339
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No