Information card for entry 4086991

Structure parameters

• Formula: C74 H92 Br2 F12 N2 P2 Pd2
• Calculated formula: C74 H92 Br2 F12.0012 N2 P2 Pd2
• 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: 34.862 ± 0.002 Å
• b: 13.2682 ± 0.0004 Å
• c: 18.4917 ± 0.0009 Å
• α: 90°
• β: 120.374 ± 0.006°
• γ: 90°
• Cell volume: 7379.4 ± 0.8 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections: 0.1666
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9802
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No