Information card for entry 4075941

Structure parameters

• Formula: C37 H54 B F4 N Ru3
• Calculated formula: C37 H54 B F4 N Ru3
• Title of publication: Synthesis and Structure of a Triruthenium Complex Containing a Perpendicularly Coordinatedμ3-η2:η2(⊥)-Nitrile Ligand and Its Protonation To Yield a Perpendicularly Coordinated Iminoacyl Ligand
• Authors of publication: Takao, Toshiro; Kawashima, Takashi; Matsubara, Kouki; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 14
• Pages of publication: 3371
• a: 10.8217 ± 0.001 Å
• b: 19.8704 ± 0.0016 Å
• c: 20.0472 ± 0.0018 Å
• α: 116.505 ± 0.004°
• β: 102.326 ± 0.004°
• γ: 89.202 ± 0.004°
• Cell volume: 3752.4 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No