Information card for entry 4080027

Structure parameters

• Formula: C38 H55 B Ru3
• Calculated formula: C38 H20.5 B Ru3
• Title of publication: Intramolecular Borylene Transfer Leading to the Formation of a μ3-BC2Ring on a Triruthenium Cluster
• Authors of publication: Kaneko, Takeshi; Suwa, Hitoshi; Takao, Toshiro; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 737
• a: 24.9664 ± 0.0008 Å
• b: 11.5356 ± 0.0004 Å
• c: 25.4235 ± 0.0011 Å
• α: 90°
• β: 101.555 ± 0.0012°
• γ: 90°
• Cell volume: 7173.6 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.647
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No