Information card for entry 4067497

Structure parameters

• Formula: C25 H40 Cl F6 P3 Pd Ru
• Calculated formula: C25 H40 Cl F6 P3 Pd Ru
• SMILES: [Pd]12(Cl)[P](C[c]34[c]52[Ru]26789%10%113([cH]4[cH]2[cH]6[c]57C[P]1(C(C)C)C(C)C)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(C(C)C)C(C)C.[P](F)(F)(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: 15.5266 ± 0.0004 Å
• b: 11.4714 ± 0.0002 Å
• c: 19.2563 ± 0.0005 Å
• α: 90°
• β: 117.13 ± 0.002°
• γ: 90°
• Cell volume: 3052.41 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0217
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No