Information card for entry 7013551

Structure parameters

• Formula: C24 H22 F3 N2 O4 P Pd S
• Calculated formula: C24 H22 F3 N2 O4 P Pd S
• SMILES: [Pd]12([P](n3ccc4ccc[n]1c34)(c1ccccc1)c1ccccc1)[O]=C(CC2)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: The synthesis and late transition metal chemistry of 7-aza-N-indolyl phosphines and the activity of their palladium complexes in CO?ethene co-polymerisation
• Authors of publication: Burrows, Andrew D.; Mahon, Mary F.; Varrone, Maurizio
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4718
• a: 8.291 ± 0.0001 Å
• b: 11.869 ± 0.0002 Å
• c: 13.881 ± 0.0003 Å
• α: 71.425 ± 0.0009°
• β: 77.464 ± 0.0008°
• γ: 89.677 ± 0.0013°
• Cell volume: 1260.97 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No