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_7004078
_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         'C40 H28 F10 P2 Pd '
_chemical_formula_sum            'C40 H28 F10 P2 Pd'
_chemical_formula_weight         866.99
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 109.1674(14)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   16.624(6)
_cell_length_b                   9.955(3)
_cell_length_c                   11.015(4)
_cell_measurement_reflns_used    2590
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.9
_cell_volume                     1721.8(10)
_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 0.958
_diffrn_measured_fraction_theta_max 0.958
_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  0.016
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5628
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.717
_exptl_absorpt_correction_T_max  0.866
_exptl_absorpt_correction_T_min  0.775
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             868.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.68
_refine_diff_density_min         -0.74
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     254
_refine_ls_number_reflns         3240
_refine_ls_R_factor_gt           0.0271
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0006Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0389
_reflns_number_gt                3203
_reflns_number_total             3240
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b802408a.txt
_cod_data_source_block           '__Pddppb'
_cod_original_formula_sum        'C40 H28 F10 P2 Pd '
_cod_database_code               7004078