Exploration of the Mechanism of Platinum(II)-Catalyzed C‒F Activation: Characterization and Reactivity of Platinum(IV) Fluoroaryl Complexes Relevant to Catalysis
Wang, Tongen; Keyes, Lauren; Patrick, Brian O.; Love, Jennifer A.; Organometallics 31 (2012) 1397–; doi:10.1021/om2007562

data_4067834
_publ_section_title
;
 Exploration of the Mechanism of Platinum(II)-Catalyzed C--F Activation:
 Characterization and Reactivity of Platinum(IV) Fluoroaryl Complexes
 Relevant to Catalysis
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              1397
_journal_paper_doi               10.1021/om2007562
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C35 H32 F4 N P Pt'
_chemical_formula_weight         768.68
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.901(5)
_cell_angle_beta                 90.954(5)
_cell_angle_gamma                111.464(5)
_cell_formula_units_Z            2
_cell_length_a                   10.0665(11)
_cell_length_b                   10.9552(13)
_cell_length_c                   14.7840(16)
_cell_measurement_reflns_used    9750
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.12
_cell_measurement_theta_min      2.506
_cell_volume                     1516.7(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker X8 APEX II'
_diffrn_measurement_method       'area detector'
_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  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            31983
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    4.728
_exptl_absorpt_correction_T_max  0.492
_exptl_absorpt_correction_T_min  0.304
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.814
_refine_diff_density_min         -0.689
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       0.00238(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         7244
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0171
_refine_ls_R_factor_gt           0.0156
_refine_ls_shift/su_max          0.053
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0103P)^2^+0.8100P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0366
_refine_ls_wR_factor_ref         0.0372
_reflns_number_gt                6931
_reflns_number_total             7244
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2007562_si_004.cif
_cod_data_source_block           jl063
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4067834