Platinum(II) and Palladium(II) Complexes of Bisphosphine Ligands Bearing o-N,N-Dimethylanilinyl Substituents: A Hint of Catalytic Olefin Hydration
Nathan D. Jones; Patric Meessen; Udo Losehand; Brian O. Patrick; Brian R. James; Inorganic Chemistry 44 (2005) 3290–3298; doi:10.1021/ic048639h

data_4308841
_publ_section_title
;
Platinum(II) and Palladium(II) Complexes of Bisphosphine Ligands
Bearing o-N,N-Dimethylanilinyl Substituents: A Hint of Catalytic Olefin
Hydration
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3290
_journal_page_last               3298
_journal_paper_doi               10.1021/ic048639h
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C36 H46 Cl3 F3 N4 O3 P2 Pd S'
_chemical_formula_weight         946.52
_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                87.556(2)
_cell_angle_beta                 86.209(2)
_cell_angle_gamma                70.624(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9087(9)
_cell_length_b                   11.2071(4)
_cell_length_c                   20.0765(10)
_cell_measurement_reflns_used    11113
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.74
_cell_measurement_theta_min      3.05
_cell_volume                     2098.1(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 11.76
_diffrn_measured_fraction_theta_full 0.776
_diffrn_measured_fraction_theta_max 0.776
_diffrn_measurement_device_type  'Rigaku/ADSC CCD'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_sigmaI/netI    0.0689
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            8457
_diffrn_reflns_theta_full        28.74
_diffrn_reflns_theta_max         28.74
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.812
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8095
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.835
_refine_diff_density_min         -0.912
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     456
_refine_ls_number_reflns         8457
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0522
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+1.8851P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.0959
_reflns_number_gt                6943
_reflns_number_total             8457
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048639hsi20040928_020825.cif
_cod_data_source_block           bj344
_cod_database_code               4308841