Information card for entry 4311224

Structure parameters

• Formula: C24 H29 Cl2 F6 N O3 P2 Pd
• Calculated formula: C24 H29 Cl2 F6 N O3 P2 Pd
• SMILES: [Pd]123([P]4(OC(C5OCC([N]1=5)(C)C)(C)C)Oc1c(c5ccccc45)cccc1)[CH2]=[CH]3C2.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Stable, Chloride-Induced Monohapto-Bonding Mode for an Allyl Ligand in a Pd(II) Complex Bearing a New Bidentate Phosphonite-Oxazoline Ligand
• Authors of publication: Jing Zhang; Pierre Braunstein; Richard Welter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4172 - 4177
• a: 30.159 ± 0.005 Å
• b: 12.383 ± 0.005 Å
• c: 16.257 ± 0.005 Å
• α: 90°
• β: 104.606 ± 0.005°
• γ: 90°
• Cell volume: 5875 ± 3 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: 0.1057
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No