Information card for entry 1557725

Structure parameters

• Common name: SEH136 [H2MeThiazole][RuCl4(2MeThiazole)2]
• Formula: C10.67 H14 Cl4 N2.67 Ru S2.67
• Calculated formula: C10.6667 H14 Cl4 N2.66667 Ru S2.66667
• 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: 7.7554 ± 0.001 Å
• b: 13.9099 ± 0.0018 Å
• c: 27.058 ± 0.003 Å
• α: 90°
• β: 92.8263 ± 0.0019°
• γ: 90°
• Cell volume: 2915.4 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No