Stoichiometric and Catalytic Aryl-Perfluoroalkyl Coupling at Tri-tert-butylphosphine Palladium(II) Complexes.
Ferguson, Devin M.; Bour, James R.; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.; Journal of the American Chemical Society 139 (2017) 11662–11665; doi:10.1021/jacs.7b05216

data_4131424
_publ_section_title
;
 Stoichiometric and Catalytic Aryl-Perfluoroalkyl Coupling at
 Tri-tert-butylphosphine Palladium(II) Complexes.
;
_journal_issue                   34
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11662
_journal_page_last               11665
_journal_paper_doi               10.1021/jacs.7b05216
_journal_volume                  139
_journal_year                    2017
_chemical_formula_moiety         'C19 H32 F3 P Pd'
_chemical_formula_sum            'C19 H32 F3 P Pd'
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_cell_length_c                   13.3924(2)
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_computing_data_collection
'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
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; 
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            'pale yellow'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0716P)^2^+1.4645P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           dmf3143
_cod_original_cell_volume        2037.60(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4131424
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_shelx_res_checksum              343
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