Formation of PPh2C6F5through Phosphido Platinum and/or Palladium(III) Intermediates
Ara, Irene; Chaouche, Naima; Forniés, Juan; Fortuño, Consuelo; Kribii, Abdelaziz; Tsipis, Athanassios C.; Organometallics 25 (2006) 1084–1091; doi:10.1021/om0508029

data_4074694
_publ_section_title
;
 Formation of PPh2C6F5through Phosphido Platinum and/or Palladium(III)
 Intermediates
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1084
_journal_page_last               1091
_journal_paper_doi               10.1021/om0508029
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C38 H24 Cl4 F10 I2 P2 Pt2'
_chemical_formula_weight         1518.29
_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                76.6210(10)
_cell_angle_beta                 78.2670(10)
_cell_angle_gamma                81.4520(10)
_cell_formula_units_Z            2
_cell_length_a                   11.0208(7)
_cell_length_b                   11.7041(7)
_cell_length_c                   17.0947(6)
_cell_measurement_reflns_used    7176
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      2.32
_cell_volume                     2088.4(2)
_computing_cell_refinement       'SAINT+ v. 6.02'
_computing_data_collection       'SMART v. 5.611'
_computing_data_reduction        'SAINT+ v. 6.02'
_computing_molecular_graphics    'XP SHELXTL v. 6.10'
_computing_publication_material  'XCIF SHELXTL v. 6.10'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.000
_diffrn_measured_fraction_theta_max 0.815
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'omega rotations'
_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  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0643
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19773
_diffrn_reflns_theta_full        0.50
_diffrn_reflns_theta_max         29.74
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    8.577
_exptl_absorpt_correction_T_max  0.4018
_exptl_absorpt_correction_T_min  0.2054
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS within SAINT+ package v. 6.02'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.414
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1404
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.992
_refine_diff_density_min         -1.501
_refine_diff_density_rms         0.216
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.941
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         9686
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.941
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0288P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0727
_reflns_number_gt                7690
_reflns_number_total             9686
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0508029si20050916_072141.cif
_cod_data_source_block           complex8
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4074694