Information card for entry 4312854

Structure parameters

• Formula: C28 H46 Cl2 O Ru2 S3
• Calculated formula: C28 H44 Cl2 O Ru2 S3
• SMILES: [Ru]1234567([S]8CC[S]1[Ru]19%10%11%12(Cl)([S]2CC8)[c]2([c]1([c]9([c]%10([c]%11([c]%122C)C)C)C)C)C)[c]1([c]3([c]4([c]5([c]6([c]71C)C)C)C)C)C.[Cl-].O
• 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: 9.3192 ± 0.0003 Å
• b: 17.9876 ± 0.0006 Å
• c: 21.2085 ± 0.0005 Å
• α: 90°
• β: 90 ± 0.02°
• γ: 90°
• Cell volume: 3555.18 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0802
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2327
• Weighted residual factors for all reflections included in the refinement: 0.2362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No