Reductive elimination of C6F5‒C6F5 in the reaction of bis(pentafluorophenyl)palladium(ii) complexes with protic acids
Koizumi, Take-aki; Yamazaki, Atsuko; Yamamoto, Takakazu; Dalton Transactions  (2008) 3949–3952; doi:10.1039/b802408a

data_7004075
_publ_section_title
;
 Reductive elimination of C6F5--C6F5 in the reaction of
 bis(pentafluorophenyl)palladium(ii) complexes with protic acids
;
_journal_issue                   30
_journal_name_full               'Dalton Transactions'
_journal_page_first              3949
_journal_page_last               3952
_journal_paper_doi               10.1039/b802408a
_journal_year                    2008
_chemical_formula_moiety         'C20 H12 F10 Pd '
_chemical_formula_sum            'C20 H12 F10 Pd'
_chemical_formula_weight         548.70
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 117.601(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   19.003(13)
_cell_length_b                   8.071(5)
_cell_length_c                   13.464(9)
_cell_measurement_reflns_used    2448
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.5
_cell_volume                     1830(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.889
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5427
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.118
_exptl_absorpt_correction_T_max  0.800
_exptl_absorpt_correction_T_min  0.647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.991
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1072.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.04
_refine_diff_density_min         -0.77
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     147
_refine_ls_number_reflns         1871
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.0043
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0819
_reflns_number_gt                1698
_reflns_number_total             1871
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b802408a.txt
_cod_data_source_block           '__Pdcod-2'
_cod_original_formula_sum        'C20 H12 F10 Pd '
_cod_database_code               7004075