Information card for entry 4312851

Structure parameters

• Formula: C16 H26 Ru S3
• Calculated formula: C16 H26 Ru S3
• SMILES: [Ru]1234567([S](CCS1)CCS2)[c]1([c]3([c]4([c]5([c]6([c]71C)C)C)C)C)C
• Title of publication: Arene-Ruthenium Complexes of an Acyclic Thiolate-Thioether and Tridentate Thioether Derivatives Resulting from Ring-Closure Reactions
• Authors of publication: Richard Y. C. Shin; Martin A. Bennett; Lai Yoong Goh; Wei Chen; David C. R. Hockless; Weng Kee Leong; Kazushi Mashima; Anthony C. Willis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 96 - 106
• a: 10.678 ± 0.002 Å
• b: 10.247 ± 0.002 Å
• c: 15.589 ± 0.001 Å
• α: 90°
• β: 94.98 ± 0.01°
• γ: 90°
• Cell volume: 1699.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No