Information card for entry 4116497

Structure parameters

• Formula: C20 H27 Cl Ru S2 Ti
• Calculated formula: C80 H108 Cl4 Ru4 S8 Ti4
• Title of publication: Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands
• Authors of publication: Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 7837 - 7845
• a: 15.8 ± 0.002 Å
• b: 16.424 ± 0.004 Å
• c: 8.073 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2094.9 ± 0.8 ų
• Cell temperature: 23 K
• Ambient diffraction temperature: 23 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.022
• Goodness-of-fit parameter for significantly intense reflections: 2.46
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No