Information card for entry 4312853

Structure parameters

• Formula: C32 H50 F12 N2 P2 Ru2 S3
• Calculated formula: C32 H50 F12 N2 P2 Ru2 S3
• SMILES: [Ru]1234567([S]8CC[S]1[Ru]19%10%11%12([S]2CC8)([N]#CC)[c]2([c]%12([c]%11([c]%10([c]9([c]12C)C)C)C)C)C)[c]1([c]7([c]6([c]5([c]4([c]31C)C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 11.995 ± 0.004 Å
• b: 11.995 ± 0.004 Å
• c: 48.844 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6086 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No