Information card for entry 4115477

Structure parameters

• Formula: C58 H71 O6 P Pd2 Ru2 S4 Ti2
• Calculated formula: C58 H71 O6 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: 25.129 ± 0.004 Å
• b: 25.477 ± 0.004 Å
• c: 18.786 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12027 ± 3 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.464
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No