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_7004077
_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         'C38 H24 F10 P2 Pd '
_chemical_formula_sum            'C38 H24 F10 P2 Pd'
_chemical_formula_weight         838.94
_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                90.0000
_cell_angle_beta                 98.7817(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.596(3)
_cell_length_b                   16.662(4)
_cell_length_c                   15.608(3)
_cell_measurement_reflns_used    8911
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3494.3(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    SHELXS97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.929
_diffrn_measured_fraction_theta_max 0.929
_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  0.020
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22830
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.704
_exptl_absorpt_correction_T_max  0.869
_exptl_absorpt_correction_T_min  0.787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1672.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.00
_refine_diff_density_min         -0.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     484
_refine_ls_number_reflns         7447
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.0078
_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         0.0420
_reflns_number_gt                5952
_reflns_number_total             7447
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b802408a.txt
_cod_data_source_block           '__Pddppe'
_cod_original_formula_sum        'C38 H24 F10 P2 Pd '
_cod_database_code               7004077