Information card for entry 7048599

Structure parameters

• Formula: C48 H45 F9 N2 O9 P2 S3
• Calculated formula: C48 H45 F9 N2 O9 P2 S3
• 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: 10 ± 0.007 Å
• b: 13.831 ± 0.01 Å
• c: 21.778 ± 0.014 Å
• α: 85.044 ± 0.017°
• β: 79.313 ± 0.018°
• γ: 89.59 ± 0.02°
• Cell volume: 2949 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No