[Pd(C[logical and]N)(X)(PPh3)] palladacycles react with 2,4,6-trifluorophenyl boronic acid to give stable transmetallation products of the type [Pd(C[logical and]N)(2,4,6-F3C6H2)(PPh3)]
Anant R. Kapdi; Gopal Dhangar; Jose Luis Serrano; Jose Perez; Luis Garcia; Ian J. S. Fairlamb; Chem.Commun. 50 (2014) 9859–; doi:10.1039/C4cc04203D

data_7115503
_publ_section_title
;
 [Pd(C[logical and]N)(X)(PPh3)] palladacycles react with
 2,4,6-trifluorophenyl boronic acid to give stable transmetallation
 products of the type [Pd(C[logical and]N)(2,4,6-F3C6H2)(PPh3)]
;
_journal_name_full               Chem.Commun.
_journal_page_first              9859
_journal_paper_doi               10.1039/C4cc04203D
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C36 H26 F3 N2 P Pd'
_chemical_formula_sum            'C36 H26 F3 N2 P Pd'
_chemical_formula_weight         680.96
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.202(2)
_cell_angle_beta                 110.621(2)
_cell_angle_gamma                102.448(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9041(6)
_cell_length_b                   12.3289(7)
_cell_length_c                   13.1446(8)
_cell_measurement_temperature    100(2)
_cell_volume                     1455.37(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_sigmaI/netI    0.0257
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            48365
_diffrn_reflns_theta_full        0.50
_diffrn_reflns_theta_max         30.63
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    0.741
_exptl_absorpt_correction_T_max  0.9229
_exptl_absorpt_correction_T_min  0.8364
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.11
_refine_diff_density_max         3.451
_refine_diff_density_min         -1.271
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         8958
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0546P)^2^+2.5792P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.0982
_reflns_number_gt                8190
_reflns_number_total             8958
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc04203d2.cif
_cod_data_source_block           complex_3
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7115503