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_7004076
_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         'C22 H8 F10 N2 Pd '
_chemical_formula_sum            'C22 H8 F10 N2 Pd'
_chemical_formula_weight         596.70
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.413(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.467(4)
_cell_length_b                   7.171(2)
_cell_length_c                   25.072(8)
_cell_measurement_reflns_used    2985
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     2421.2(13)
_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    SIR2002
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.895
_diffrn_measured_fraction_theta_max 0.895
_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       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            11187
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.855
_exptl_absorpt_correction_T_max  0.843
_exptl_absorpt_correction_T_min  0.673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1160.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.25
_refine_diff_density_min         -0.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.733
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     324
_refine_ls_number_reflns         4977
_refine_ls_R_factor_gt           0.0655
_refine_ls_shift/su_max          0.1122
_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         0.1020
_reflns_number_gt                3786
_reflns_number_total             4977
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b802408a.txt
_cod_data_source_block           '__060914ATS359-2a'
_cod_original_cell_volume        2421.3(13)
_cod_original_formula_sum        'C22 H8 F10 N2 Pd '
_cod_database_code               7004076