Information card for entry 4068664

Structure parameters

• Formula: C27.5 H33.5 B Cl1.5 F4 O4 P2 Pd
• Calculated formula: C27.5 H33.5 B Cl1.5 F4 O4 P2 Pd
• SMILES: c1(ccccc1)[P]1(c2ccccc2)C(c2ccccc2)P(=[O][Pd]21CCC(C)=[O]2)(OCC)OCC.C(Cl)(Cl)Cl.[B](F)(F)(F)[F-]
• Title of publication: Palladium Alkyl Complexes Containing β-Phosphonato−Phosphine P,O Ligands and Their Reactivity toward CO-Ethylene or -Acrylate Insertion
• Authors of publication: Hamada, Adel; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1688
• a: 9.6834 ± 0.0002 Å
• b: 16.8383 ± 0.0004 Å
• c: 19.4651 ± 0.0005 Å
• α: 90°
• β: 99.312 ± 0.001°
• γ: 90°
• Cell volume: 3132 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No