Information card for entry 4076415

Structure parameters

• Formula: C34 H53 B Ru3
• Calculated formula: C34 H46 B Ru3
• SMILES: [Ru]12345678([Ru]9%10%11%12%13%14([Ru]%15%16%17%18%19%20%21([BH]19[CH]2%15[C]3%16(=[CH]4%10%17)C)[c]1([c]%21([c]%20([c]%19([c]%181C)C)C)C)C)[c]1([c]%11([c]%12([c]%13([c]%141C)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: 18.2835 ± 0.0003 Å
• b: 22.4887 ± 0.0004 Å
• c: 15.8839 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6531 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No