Early-Late Heterobimetallic Complexes as Catalyst for Ethylene Polymerization. Cooperative Effect of Two Metal Centers to Afford Highly Branched Polyethylene
Kohtaro Osakada; Junpei Kuwabara; Daisuke Takeuchi; Chemical Communications  (2006) –; doi:10.1039/b605800k

data_7101388
_publ_section_title
;
Early-Late Heterobimetallic Complexes as Catalyst for
Ethylene Polymerization. Cooperative Effect of Two Metal Centers to
Afford Highly Branched Polyethylene
;
_journal_issue                   36
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b605800k
_journal_year                    2006
_chemical_formula_moiety         'C49.50 H59 Cl5 Co N2 O2 Si Zr '
_chemical_formula_sum            'C49.5 H59 Cl5 Co N2 O2 Si Zr'
_chemical_formula_weight         1069.53
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_formula_units_Z            18
_cell_length_a                   35.456(5)
_cell_length_b                   35.456(5)
_cell_length_c                   23.121(3)
_cell_measurement_reflns_used    10065
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.0
_cell_volume                     25172(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.046
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            54306
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_exptl_absorpt_coefficient_mu    0.778
_exptl_absorpt_correction_T_max  0.869
_exptl_absorpt_correction_T_min  0.725
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             9936.00
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.08
_refine_diff_density_min         -1.06
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.419
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     605
_refine_ls_number_reflns         10214
_refine_ls_number_restraints     181
_refine_ls_R_factor_gt           0.1168
_refine_ls_shift/su_max          0.0060
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3644
_reflns_number_gt                7994
_reflns_number_total             10214
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b605800k.txt
_cod_original_sg_symbol_H-M      'R -3:H'
_cod_original_formula_sum        'C49.50 H59 Cl5 Co N2 O2 Si Zr '
_cod_database_code               7101388