Information card for entry 4086995

Structure parameters

• Formula: C45 H52 F6 N O4 P Pd
• Calculated formula: C45 H52 F6 N O4 P Pd
• Title of publication: Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes
• Authors of publication: Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 1
• Pages of publication: 129
• a: 10.78 ± 0.0008 Å
• b: 13.6203 ± 0.0009 Å
• c: 14.897 ± 0.001 Å
• α: 91.076 ± 0.005°
• β: 98.051 ± 0.006°
• γ: 101.012 ± 0.006°
• Cell volume: 2123.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0798
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections: 0.1608
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9578
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No