Information card for entry 4076413

Structure parameters

• Formula: C34 H53 B Ru3
• Calculated formula: C34 H51 B Ru3
• SMILES: [Ru]12345678([Ru]9%10%11%12%13%14%15([Ru]%16%17%18%191([BH]29)([C]%10C)([CH]4=[CH]3%11)[c]1([c]%19([c]%18([c]%17([c]%161C)C)C)C)C)[c]1([c]%12([c]%13([c]%14([c]%151C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Formation of a Boraruthenacyclopentenyl Skeleton via B‒C Bond Formation across a Triruthenium Plane
• Authors of publication: Takao, Toshiro; Suwa, Hitoshi; Okamura, Rei; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1825
• a: 22.908 ± 0.007 Å
• b: 22.9 ± 0.006 Å
• c: 15.363 ± 0.006 Å
• α: 90°
• β: 127.463 ± 0.017°
• γ: 90°
• Cell volume: 6397 ± 4 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No