Catalyst/Cocatalyst Nuclearity Effects in Single-Site Olefin Polymerization. Significantly Enhanced 1-Octene and Isobutene Comonomer Enchainment in Ethylene Polymerizations Mediated by Binuclear Catalysts and Cocatalysts
Hongbo Li; Liting Li; Tobin J. Marks; Louise Liable-Sands; Arnold L. Rheingold; Journal of the American Chemical Society 125 (2003) 10788–10789; doi:10.1021/ja036289c

data_4114141
_publ_section_title
;
 Catalyst/Cocatalyst Nuclearity Effects in Single-Site Olefin
 Polymerization. Significantly Enhanced 1-Octene and Isobutene Comonomer
 Enchainment in Ethylene Polymerizations Mediated by Binuclear Catalysts
 and Cocatalysts
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10788
_journal_page_last               10789
_journal_paper_doi               10.1021/ja036289c
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C19 H31 N Si Ti'
_chemical_formula_weight         349.44
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 100.7690(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.9273(14)
_cell_length_b                   12.1450(7)
_cell_length_c                   14.1744(8)
_cell_measurement_temperature    153(2)
_cell_volume                     3877.4(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_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  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17467
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    0.501
_exptl_absorpt_correction_T_max  0.959304
_exptl_absorpt_correction_T_min  0.800140
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.197
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          .206
_exptl_crystal_size_mid          .158
_exptl_crystal_size_min          .110
_refine_diff_density_max         0.709
_refine_diff_density_min         -0.265
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         4652
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.970
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0764P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1041
_refine_ls_wR_factor_ref         0.1100
_reflns_number_gt                3574
_reflns_number_total             4652
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja036289csi20030605_025237.cif
_cod_data_source_block           s26h2
_cod_database_code               4114141