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_4114142
_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            'C44 H39 B F15 N Si Ti'
_chemical_formula_weight         953.56
_chemical_name_systematic
; 
 ? 
;
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.2610(10)
_cell_angle_beta                 97.9910(10)
_cell_angle_gamma                110.6800(10)
_cell_formula_units_Z            2
_cell_length_a                   11.0774(8)
_cell_length_b                   12.8788(9)
_cell_length_c                   16.3857(12)
_cell_measurement_temperature    153(2)
_cell_volume                     2162.2(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.931
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0379
_diffrn_reflns_av_sigmaI/netI    0.0507
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19975
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    0.324
_exptl_absorpt_correction_T_max  0.96527
_exptl_absorpt_correction_T_min  0.92616
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_description       block
_exptl_crystal_F_000             972
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.174
_exptl_crystal_size_min          0.122
_refine_diff_density_max         0.859
_refine_diff_density_min         -0.719
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     692
_refine_ls_number_reflns         10009
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0549
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1018P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1416
_refine_ls_wR_factor_ref         0.1556
_reflns_number_gt                6977
_reflns_number_total             10009
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja036289csi20030605_025306.cif
_cod_data_source_block           s42h
_cod_database_code               4114142