Information card for entry 4067498

Structure parameters

• Formula: C30 H50 B Cl F4 P2 Pd Ru
• Calculated formula: C30 H50 B Cl F4 P2 Pd Ru
• SMILES: [Pd]12(Cl)[P](C[c]34[cH]5[Ru]6789%10%11%123([c]24[c]8([cH]7[cH]56)C[P]1(C(C)C)C(C)C)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)C)(C(C)C)C(C)C.[B](F)(F)(F)[F-]
• Title of publication: Bimetallic η6,η1SCS- and PCP-Pincer Ruthenium Palladium Complexes: Synthesis, Structure, and Catalytic Activity
• Authors of publication: Bonnet, Sylvestre; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1157
• a: 11.8179 ± 0.0001 Å
• b: 20.819 ± 0.0002 Å
• c: 15.8033 ± 0.0001 Å
• α: 90°
• β: 117.69 ± 0.0005°
• γ: 90°
• Cell volume: 3442.9 ± 0.05 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: 0.0364
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No