Information card for entry 4116500

Structure parameters

• Formula: C31 H42 Cl4 Ru2 S4 Ti2
• Calculated formula: C31 H42 Cl4 Ru2 S4 Ti2
• 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: 10.398 ± 0.004 Å
• b: 18.263 ± 0.005 Å
• c: 19.474 ± 0.004 Å
• α: 90°
• β: 92.55 ± 0.03°
• γ: 90°
• Cell volume: 3694.4 ± 1.9 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.0478
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.632
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No