Information card for entry 4070836

Structure parameters

• Formula: C37 H53 F6 P Ru3
• Calculated formula: C37 H53 F6 P Ru3
• SMILES: [Ru]12345678([Ru]9%10%11%12%13%14%15%16([Ru]%17%18%19%20%21%221(C29)([CH]%12([C]%11(=[CH]3%10)C)[CH]%17=[CH]4%18)[c]1([c]%19([c]%20([c]%21([c]%221C)C)C)C)C)[c]1([c]%13([c]%14([c]%15([c]%161C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 17.9482 ± 0.0005 Å
• b: 19.5298 ± 0.0004 Å
• c: 20.9501 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7343.5 ± 0.3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No