PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route
Kimura, Tsutomu; Uozumi, Yasuhiro; Organometallics 25 (2006) 4883–; doi:10.1021/om060506b

data_4083820
_publ_section_title
;
 PCP Pincer Palladium Complexes and Their Catalytic Properties:&#x00A0;
 Synthesis via the Electrophilic Ligand Introduction Route
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4883
_journal_paper_doi               10.1021/om060506b
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C22 H43 I N4 O2 P2 Pd '
_chemical_formula_sum            'C22 H43 I N4 O2 P2 Pd'
_chemical_formula_weight         690.86
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   32.950(7)
_cell_length_b                   10.670(2)
_cell_length_c                   16.740(4)
_cell_measurement_reflns_used    12851
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     5885(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9899
_diffrn_measured_fraction_theta_max 0.9914
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.056
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            86730
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.813
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2784.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.31
_refine_diff_density_min         -0.99
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     322
_refine_ls_number_reflns         6717
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.0330
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0012Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0810
_reflns_number_gt                3894
_reflns_number_total             7414
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om060506bsi20060607_050040.cif
_cod_data_source_block           '__PdPNEt'
_cod_original_cell_volume        5885.4(22)
_cod_original_sg_symbol_Hall     -p_2ab_2ac
_cod_original_sg_symbol_H-M      p_c_c_n
_cod_original_formula_sum        'C22 H43 I N4 O2 P2 Pd '
_cod_database_code               4083820