Information card for entry 2226085

Structure parameters

• Chemical name: [2,6-Bis(di-<i>tert</i>-butylphosphinomethyl)phenyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'](trifluoroacetato)palladium(II)
• Formula: C26 H43 F3 O2 P2 Pd
• Calculated formula: C26 H43 F3 O2 P2 Pd
• SMILES: [Pd]12([P](Cc3c2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)OC(=O)C(F)(F)F
• Title of publication: [2,6-Bis(di-<i>tert</i>-butylphosphinomethyl)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'](trifluoroacetato)palladium(II)
• Authors of publication: Johnson, Magnus T.; Cetina, Mario; Rissanen, Kari; Wendt, Ola F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m675
• a: 11.1239 ± 0.0001 Å
• b: 15.7484 ± 0.0002 Å
• c: 32.44 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5682.96 ± 0.11 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes