Information card for entry 4065265

Structure parameters

• Chemical name: Acetonitrile- {3-(methyl)-1-(pyrid-2-ylmethyl)-2,3-dihydro-imidazole-2-ylidene-κ^2^ C,N} (pentahapto-pentamethyl-cyclopentadienyl)-ruthenium (II) tetrakis{3,5-bis(trifluoromethyl)phenyl}borate
• Formula: C54 H41 B F24 N4 Ru
• Calculated formula: C54 H41 B F24 N4 Ru
• Title of publication: Half-Sandwich Ruthenium(II) Picolyl-NHC Complexes: Synthesis, Characterization, and Catalytic Activity in Transfer Hydrogenation Reactions
• Authors of publication: Fernández, Francys E.; Puerta, M. Carmen; Valerga, Pedro
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5793
• a: 12.427 ± 0.003 Å
• b: 12.814 ± 0.003 Å
• c: 17.884 ± 0.004 Å
• α: 91.85 ± 0.03°
• β: 100.3 ± 0.03°
• γ: 104.44 ± 0.03°
• Cell volume: 2704.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0843
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No