Information card for entry 7048598

Structure parameters

• Formula: C54 H54.45 Cl F6 N4 O6 P2 Pd S2
• Calculated formula: C54 H54.445 Cl F6 N4 O6 P2 Pd S2
• Title of publication: Palladium(ii) pincer complexes of a C,C,C-NHC, diphosphonium bis(ylide) ligand.
• Authors of publication: Taakili, Rachid; Lepetit, Christine; Duhayon, Carine; Valyaev, Dmitry A.; Lugan, Noël; Canac, Yves
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1709 - 1721
• a: 12.9726 ± 0.0006 Å
• b: 14.7721 ± 0.0007 Å
• c: 16.7001 ± 0.0008 Å
• α: 88.082 ± 0.001°
• β: 73.571 ± 0.001°
• γ: 65.144 ± 0.001°
• Cell volume: 2771.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No