Information card for entry 4070718

Structure parameters

• Formula: C23 H36 B Cl3 F4 N2 Pd Ru
• Calculated formula: C23 H36 B Cl3 F4 N2 Pd Ru
• SMILES: [Pd]12(Cl)[N](C[c]34[cH]5[Ru]6789%10%11%123([c]24[c]8([cH]7[cH]56)C[N]1(C)C)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)C)(C)C.[B](F)(F)(F)[F-].ClCCl
• Title of publication: η6-Coordination of a Ruthenium(II) Organometallic Fragment to the Arene Ring of N,C,N-Pincer Metal Complexes
• Authors of publication: Bonnet, Sylvestre; Lutz, Martin; Spek, Anthony L.; Koten, Gerard van; Klein Gebbink, Robertus J. M.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 159
• a: 9.77336 ± 0.00019 Å
• b: 19.3029 ± 0.0005 Å
• c: 14.73985 ± 0.00019 Å
• α: 90°
• β: 91.055 ± 0.001°
• γ: 90°
• Cell volume: 2780.26 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.0391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No