Pentafluorophenyl imidato palladium(II) complexes: catalysts for Suzuki cross-coupling reactions.
Ruiz, José; Vicente, Consuelo; Cutillas, Natalia; Pérez, José; Dalton transactions (Cambridge, England : 2003)  (2005) 1999–2006; doi:10.1039/b503101j

data_7008459
_publ_section_title
;
 Pentafluorophenyl imidato palladium(II) complexes: catalysts for
 Suzuki cross-coupling reactions.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1999
_journal_page_last               2006
_journal_paper_doi               10.1039/b503101j
_journal_year                    2005
_chemical_formula_sum            'C30 H48 F5 N3 O6 Pd'
_chemical_formula_weight         748.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.77(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   10.3563(5)
_cell_length_b                   41.9620(18)
_cell_length_c                   24.4230(11)
_cell_measurement_temperature    100(2)
_cell_volume                     10516.1(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.000
_diffrn_measured_fraction_theta_max 0.945
_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  0.0378
_diffrn_reflns_av_sigmaI/netI    0.0327
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       55
_diffrn_reflns_limit_k_min       -54
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            122099
_diffrn_reflns_theta_full        0.50
_diffrn_reflns_theta_max         28.18
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    0.599
_exptl_absorpt_correction_T_max  0.8697
_exptl_absorpt_correction_T_min  0.8133
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4656
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.630
_refine_diff_density_min         -1.091
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.277
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1237
_refine_ls_number_reflns         24434
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.285
_refine_ls_R_factor_all          0.0892
_refine_ls_R_factor_gt           0.0853
_refine_ls_shift/su_max          0.044
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0359P)^2^+68.2378P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1775
_refine_ls_wR_factor_ref         0.1796
_reflns_number_gt                23456
_reflns_number_total             24434
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b503101j.txt
_cod_data_source_block           complex10
_cod_original_cell_volume        10516.1(8)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7008459