Information card for entry 4070838

Structure parameters

• Formula: C61 H73 B Ru3
• Calculated formula: C61 H73 B Ru3
• SMILES: [Ru]12345678([Ru]9%10%11%12%13%14%15%16([Ru]%17%18%19%20%211(C29)([CH](C%12([CH]%11=[CH]3%10)C)=[CH]4%17)[c]1([c]%21([c]%20([c]%19([c]%181C)C)C)C)C)[c]1([c]%16([c]%15([c]%14([c]%131C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Insertion of Acetylene and Nitriles into a Ru‒C Bond of a Dicationic Triruthenium Complex Having a μ~3~-η^3^-C~3~ Ring: Formation of Six-Membered Ruthenacycles on a Triruthenium Core
• Authors of publication: Takao, Toshiro; Moriya, Makoto; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1044 - 1054
• a: 11.3369 ± 0.0005 Å
• b: 13.8483 ± 0.0007 Å
• c: 17.3975 ± 0.0007 Å
• α: 70.706 ± 0.002°
• β: 86.346 ± 0.003°
• γ: 82.148 ± 0.0019°
• Cell volume: 2553.3 ± 0.2 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No