Information card for entry 4303897

Structure parameters

• Formula: C28 H34 B2 F8 N4 O4 P2 Pd2
• Calculated formula: C28 H34 B2 F8 N4 O4 P2 Pd2
• SMILES: [Pd]1234[Pd]5([N]6=C(OCC6)C[P]45(CC4=[N]2CCO4)c2ccccc2)[N]2=C(OCC2)C[P]3(CC2=[N]1CCO2)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Tridentate Assembling Ligands Based on Oxazoline and Phosphorus Donors in Dinuclear Pd(I)-Pd(I) Complexes
• Authors of publication: Jing Zhang; Roberto Pattacini; Pierre Braunstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11954 - 11962
• a: 17.672 ± 0.004 Å
• b: 11.911 ± 0.003 Å
• c: 17.193 ± 0.004 Å
• α: 90°
• β: 110.98 ± 0.01°
• γ: 90°
• Cell volume: 3379.1 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No