Aryl-halide versus aryl-aryl reductive elimination in Pt(IV)-phosphine complexes.
Yahav-Levi, Anette; Goldberg, Israel; Vigalok, Arkadi; Journal of the American Chemical Society 128 (2006) 8710–8711; doi:10.1021/ja062166r

data_4101543
_publ_section_title
;
 Aryl-halide versus aryl-aryl reductive elimination in Pt(IV)-phosphine
 complexes.
;
_journal_issue                   27
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8710
_journal_page_last               8711
_journal_paper_doi               10.1021/ja062166r
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C18 H24 F2 I2 P2 Pt'
_chemical_formula_weight         789.20
_chemical_name_systematic
; 
 ? 
;
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.3151(2)
_cell_length_b                   16.4521(3)
_cell_length_c                   16.5118(3)
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_cell_measurement_theta_max      27.86
_cell_measurement_theta_min      2.15
_cell_volume                     4432.06(13)
_computing_cell_refinement       Denzo
_computing_data_collection       'Collect, Nonius B.V.'
_computing_data_reduction        Denzo
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    DIRDIF-96
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 12.8
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '1 deg. Phi scans'
_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  0.0530
_diffrn_reflns_av_sigmaI/netI    0.0426
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            24533
_diffrn_reflns_theta_full        27.86
_diffrn_reflns_theta_max         27.86
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    9.279
_exptl_absorpt_correction_T_max  0.3366
_exptl_absorpt_correction_T_min  0.1673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.365
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2912
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.529
_refine_diff_density_min         -2.320
_refine_diff_density_rms         0.238
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5132
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0389
_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^)+(0.0488P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0860
_refine_ls_wR_factor_ref         0.0932
_reflns_number_gt                3998
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja062166rsi20060606_082625.cif
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_cod_original_sg_symbol_H-M      'P bca'
_cod_database_code               4101543