Information card for entry 4072672

Structure parameters

• Formula: C60 H71 B O Ru3
• Calculated formula: C60 H71.5 B O Ru3
• Title of publication: Redox-Induced Reversible Rearrangement of a Dimetallaallyl Ligand on the Trinuclear Cluster of Ruthenium. Mechanistic Aspects of Formation of the Face-Capping μ3-C3Ring on the Triruthenium Plane
• Authors of publication: Takao, Toshiro; Moriya, Makoto; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1349
• a: 16.5675 ± 0.0001 Å
• b: 17.3124 ± 0.0002 Å
• c: 35.4645 ± 0.0003 Å
• α: 90°
• β: 95.586 ± 0.0004°
• γ: 90°
• Cell volume: 10123.7 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0715
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No