C-H Activation and C-C Coupling of Arenes by Cationic Pt(II) Complexes
Wayde V. Konze; Brian L. Scott; Gregory J. Kubas; Journal of the American Chemical Society 124 (2002) 12550–12556; doi:10.1021/ja020798h

data_4115204
_publ_section_title
;
 C-H Activation and C-C Coupling of Arenes by Cationic Pt(II) Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12550
_journal_page_last               12556
_journal_paper_doi               10.1021/ja020798h
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C96 H82 B2 F48 P4 Pt2'
_chemical_formula_weight         2683.30
_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                110.1080(10)
_cell_angle_beta                 98.9020(10)
_cell_angle_gamma                98.7380(10)
_cell_formula_units_Z            2
_cell_length_a                   13.0443(6)
_cell_length_b                   18.1546(9)
_cell_length_c                   24.8574(11)
_cell_measurement_temperature    203(2)
_cell_volume                     5326.0(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_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  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0560
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            17306
_diffrn_reflns_theta_max         27.92
_diffrn_reflns_theta_min         1.22
_exptl_absorpt_coefficient_mu    2.812
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.673
_exptl_crystal_description       'rectangular block'
_exptl_crystal_F_000             2632
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         5.293
_refine_diff_density_min         -1.468
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.277
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1369
_refine_ls_number_reflns         15154
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.277
_refine_ls_R_factor_all          0.0876
_refine_ls_R_factor_gt           0.0657
_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^)+(0.0950P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1714
_refine_ls_wR_factor_ref         0.1856
_reflns_number_gt                11780
_reflns_number_total             15154
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja020798h_2.cif
_cod_data_source_block           ccd88
_cod_database_code               4115204