Reactions of Vinyl Acetate and Vinyl Trifluoroacetate with Cationic Diimine Pd(II) and Ni(II) Alkyl Complexes: Identification of Problems Connected with Copolymerizations of These Monomers with Ethylene
B. Scott Williams; Mark D. Leatherman; Peter S. White; Maurice Brookhart; Journal of the American Chemical Society 127 (2005) 5132–5146; doi:10.1021/ja045969s

data_4111612
_publ_section_title
;
 Reactions of Vinyl Acetate and Vinyl Trifluoroacetate with Cationic
 Diimine Pd(II) and Ni(II) Alkyl Complexes: Identification of Problems
 Connected with Copolymerizations of These Monomers with Ethylene
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5132
_journal_page_last               5146
_journal_paper_doi               10.1021/ja045969s
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C33 H33 N2 O2 Pd, F6 Sb, 2(C H2 Cl2) '
_chemical_formula_sum            'C35 H37 Cl4 F6 N2 O2 Pd Sb'
_chemical_formula_weight         1001.63
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.953(1)
_cell_angle_beta                 90.798(2)
_cell_angle_gamma                108.682(2)
_cell_formula_units_Z            2
_cell_length_a                   8.8149(9)
_cell_length_b                   12.7183(13)
_cell_length_c                   18.3693(19)
_cell_measurement_reflns_used    4274
_cell_measurement_temperature    173
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.50
_cell_volume                     1949.1(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT/NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      173
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measurement_device       'Bruker SMART 1K'
_diffrn_measurement_method       'Omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18479
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    1.49
_exptl_absorpt_correction_T_max  0.740
_exptl_absorpt_correction_T_min  0.597
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_description       block
_exptl_crystal_F_000             990.60
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.92
_refine_diff_density_min         -1.55
_refine_ls_extinction_coef       0.622(8)
_refine_ls_extinction_method     Larson
_refine_ls_goodness_of_fit_ref   2.56
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     464
_refine_ls_number_reflns         5435
_refine_ls_R_factor_all          0.073
_refine_ls_R_factor_gt           0.057
_refine_ls_shift/su_max          0.008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     1/(\s^2^(F)+0.0003F^2^)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.084
_refine_ls_wR_factor_gt          0.076
_reflns_number_gt                5499
_reflns_number_total             6826
_reflns_threshold_expression     'Inet > 3.0\s(Inet)'
_cod_data_source_file            ja045969ssi20040706_052904.cif
_cod_data_source_block           c02055
_cod_original_formula_sum        'C35 H37 Cl4 F6 N2 O2 Pd Sb  '
_cod_database_code               4111612