Information card for entry 2222322

Structure parameters

• Common name: [Pd(triphos)Cl](PF6)2
• Chemical name: {Bis[2-(diphenylphosphino)ethyl]phenylphosphine-\ κ^3^<i>P</i>,<i>P</i>',<i>P</i>''}chloridopalladium(II) hexafluoridophosphate
• Formula: C34 H33 Cl F6 P4 Pd
• Calculated formula: C34 H33 Cl F6 P4 Pd
• SMILES: [Pd]12(Cl)[P](CC[P]2(c2ccccc2)c2ccccc2)(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: {Bis[2-(diphenylphosphino)ethyl]phenylphosphine-κ^3^<i>P</i>,<i>P</i>',<i>P</i>''}chloridopalladium(II) hexafluoridophosphate
• Authors of publication: Vorce, Paul R.; Miller, Susie M.; Helm, Monte L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m792
• a: 11.2465 ± 0.0005 Å
• b: 11.8182 ± 0.0005 Å
• c: 15.5093 ± 0.0007 Å
• α: 69.029 ± 0.002°
• β: 70.439 ± 0.002°
• γ: 69.697 ± 0.002°
• Cell volume: 1752.27 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes