Information card for entry 4082839

Structure parameters

• Formula: C34 H45 Cl2 F6 N2 O3 P Pd Ru
• Calculated formula: C34 H45 Cl2 F6 N2 O3 P Pd Ru
• SMILES: O=C(C)C.c1cccc2[C@]3([c]45[c]6([cH]7[cH]8[cH]9[cH]4[Ru]4%10%11%1256789[cH]5[cH]4[cH]%10[cH]%11[cH]%125)[C@@](c12)([C@H]1[C@@H]3C[N]2(C1)CC[N](C)(C)[Pd]2(Cl)Cl)OCC)OCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Heteropolymetallic Complexes Linked to a 9,10-Dihydroanthracenyl Frame. Ruthenium as Active Spectator for Palladium Reactivity
• Authors of publication: Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Teuma, Emmanuelle; Gómez, Montserrat
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1812
• a: 12.7392 ± 0.0009 Å
• b: 13.2757 ± 0.0009 Å
• c: 13.3273 ± 0.0009 Å
• α: 112.596 ± 0.003°
• β: 93.527 ± 0.003°
• γ: 103.225 ± 0.003°
• Cell volume: 1997.5 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No