Synthesis and structural characterization of the first unsymmetrical diarylpalladium complex trans-Pd(C6F5)(2,4,6-C6F3H2)(PEt3)2, derived from transmetallation between 2,4,6-trifluorophenylboronic acid and trans-Pd(C6F5)I(PEt3)2.
Nishihara, Yasushi; Onodera, Hiroyuki; Osakada, Kohtaro; Chemical communications (Cambridge, England)  (2004) 192–193; doi:10.1039/b308741g

data_7102407
_publ_section_title
;
 Synthesis and structural characterization of the first unsymmetrical
 diarylpalladium complex trans-Pd(C6F5)(2,4,6-C6F3H2)(PEt3)2, derived
 from transmetallation between 2,4,6-trifluorophenylboronic acid and
 trans-Pd(C6F5)I(PEt3)2.
;
_journal_issue                   2
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              192
_journal_page_last               193
_journal_paper_doi               10.1039/b308741g
_journal_year                    2004
_chemical_formula_moiety         'C24 H32 F8 P2 Pd '
_chemical_formula_sum            'C24 H32 F8 P2 Pd'
_chemical_formula_weight         640.85
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.81(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.309(4)
_cell_length_b                   12.207(5)
_cell_length_c                   9.460(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      16.9
_cell_measurement_theta_min      15.1
_cell_volume                     1374.2(8)
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.04858
_diffrn_orient_matrix_UB_12      -0.04458
_diffrn_orient_matrix_UB_13      -0.04810
_diffrn_orient_matrix_UB_21      0.01804
_diffrn_orient_matrix_UB_22      -0.05059
_diffrn_orient_matrix_UB_23      0.08601
_diffrn_orient_matrix_UB_31      -0.06615
_diffrn_orient_matrix_UB_32      -0.04652
_diffrn_orient_matrix_UB_33      -0.04737
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  filter
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00000
_diffrn_reflns_av_sigmaI/netI    0.033
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            1739
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         22.49
_diffrn_reflns_theta_min         2.78
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.857
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.965
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             648.00
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.45
_refine_diff_density_min         -0.45
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.024
_refine_ls_goodness_of_fit_ref   2.020
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     169
_refine_ls_number_reflns         1077
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.0200
_refine_ls_shift/su_mean         0.0021
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     unit
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0370
_refine_ls_wR_factor_ref         0.0370
_reflns_number_gt                1077
_reflns_number_total             1576
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            b308741g.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C24 H32 F8 P2 Pd '
_cod_database_code               7102407