Information card for entry 4077311

Structure parameters

• Formula: C26.67 H40.33 B2 F8 N3.33 O4.5 P Pd
• Calculated formula: C25.75 H36 B2 F8 N3.33 O4 P Pd
• Title of publication: Palladium Complexes with a New Hemilabile Bis(oxazoline)phenylphosphonite Ligand. Characterization of an Unprecedented Chloro Palladium(II)−(η1-Allyl) Complex‖
• Authors of publication: Braunstein, Pierre; Naud, Frédéric; Dedieu, Alain; Rohmer, Marie-Madeleine; DeCian, André; Rettig, Steven J.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 14
• Pages of publication: 2966
• a: 10.7713 ± 0.0008 Å
• b: 18.049 ± 0.003 Å
• c: 17.5134 ± 0.0006 Å
• α: 90°
• β: 91.9285 ± 0.0006°
• γ: 90°
• Cell volume: 3402.9 ± 0.6 ų
• Cell temperature: 180.2 K
• Ambient diffraction temperature: 180.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for all reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No