Catalytic Hydroarylation of Olefins Promoted by Dicationic Platinum(II) and Palladium(II) Complexes. The Interplay of C−C Bond Formation and M−C Bond Cleavage
Cucciolito, Maria Elena; D'Amora, Angela; Tuzi, Angela; Vitagliano, Aldo; Organometallics 26 (2007) 5216–; doi:10.1021/om700692s

data_4073867
_publ_section_title
;
 Catalytic Hydroarylation of Olefins Promoted by Dicationic Platinum(II)
 and Palladium(II) Complexes. The Interplay of C&#x2212;C Bond Formation
 and M&#x2212;C Bond Cleavage
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5216
_journal_paper_doi               10.1021/om700692s
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C42 H42 N O3 P2 Pt , B F4'
_chemical_formula_sum            'C42 H42 B F4 N O3 P2 Pt'
_chemical_formula_weight         952.61
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.680(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.286(3)
_cell_length_b                   11.617(3)
_cell_length_c                   20.683(4)
_cell_measurement_reflns_used    128
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      19.056
_cell_measurement_theta_min      3.606
_cell_volume                     3992.3(15)
_computing_cell_refinement       'Dirax/lsq (Duisenberg et al., 2000)'
_computing_data_collection       'Collect (Nonius B.V, 1999)'
_computing_data_reduction        'EvalCCD (Duisenberg et al., 2003)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1837
_diffrn_reflns_av_sigmaI/netI    0.1687
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            37576
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.06
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.653
_exptl_absorpt_correction_T_max  0.8983
_exptl_absorpt_correction_T_min  0.3228
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS (Bruker-Nonius, 2002).
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.118
_refine_diff_density_min         -1.476
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.939
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     490
_refine_ls_number_reflns         9042
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.939
_refine_ls_R_factor_all          0.1886
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0745P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1743
_reflns_number_gt                3630
_reflns_number_total             9042
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700692s-file001.cif
_cod_data_source_block           marilen
_cod_original_cell_volume        3992.3(14)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4073867