Information card for entry 4115476

Structure parameters

• Formula: C53 H69 O3 P Pd2 Ru2 S4 Ti2
• Calculated formula: C53 H57 O3 P Pd2 Ru2 S4 Ti2
• Title of publication: A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne
• Authors of publication: Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 3826 - 3827
• a: 23.873 ± 0.005 Å
• b: 11.955 ± 0.004 Å
• c: 22.234 ± 0.004 Å
• α: 90°
• β: 116.47 ± 0.01°
• γ: 90°
• Cell volume: 5680 ± 3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.539
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No