Information card for entry 7016225

Structure parameters

• Formula: C34 H51 F P2 Pd Ru
• Calculated formula: C34 H51 F P2 Pd Ru
• SMILES: [Pd]12([c]34[Ru]56789%10%11([c]3([cH]5[cH]6[c]47C[P]2(C(C)(C)C)C(C)(C)C)C[P]1(C(C)(C)C)C(C)(C)C)[cH]1[cH]8[cH]9[cH]%10[cH]%111)c1ccc(F)cc1
• Title of publication: Synthesis and characterization of fluorophenylpalladium pincer complexes: electronic properties of some pincer ligands evaluated by multinuclear NMR spectroscopy and electrochemical studies.
• Authors of publication: Polukeev, Alexey V.; Kuklin, Sergey A.; Petrovskii, Pavel V.; Peregudova, Svetlana M.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Koridze, Avthandil A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 27
• Pages of publication: 7201 - 7209
• a: 10.5669 ± 0.0007 Å
• b: 10.6045 ± 0.0007 Å
• c: 15.8685 ± 0.001 Å
• α: 100.877 ± 0.001°
• β: 96.133 ± 0.001°
• γ: 107.634 ± 0.001°
• Cell volume: 1638.42 ± 0.19 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: 0.0304
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No