Ethylene/Polar Monomer Copolymerization Behavior of Bis(phenoxy-imine)Ti Complexes: Formation of Polar Monomer Copolymers
Hiroshi Terao; Seiichi Ishii; Makoto Mitani; Hidetsugu Tanaka; Terunori Fujita; Journal of the American Chemical Society 130 (2008) 17636–17637; doi:10.1021/ja8060479

data_4108924
_publ_contact_author_address
;
   580-32, Nagaura, Sodegaura, Chiba, Japan.
;
_publ_contact_author_email       Terunori.Fujita@mistui-chem.co.jp
_publ_contact_author_fax         ' +81-438-64-2375 '
_publ_contact_author_name        'Terunori Fujita'
_publ_contact_author_phone       ' +81-438-64-2317 '
_publ_section_title
;
 Ethylene/Polar Monomer Copolymerization Behavior of Bis(phenoxy-imine)Ti
 Complexes: Formation of Polar Monomer Copolymers
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17636
_journal_page_last               17637
_journal_paper_doi               10.1021/ja8060479
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C38 H28 Cl2 N2 O2 Ti1'
_chemical_formula_sum            'C76 H56 Cl4 N4 O4 Ti2'
_chemical_formula_weight         1326.88
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Fri Jul 12 18:47:24 2003'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 104.92(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.63(1)
_cell_length_b                   14.784(5)
_cell_length_c                   17.845(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    223.2
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      15.0
_cell_volume                     6534(4)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      223.2
_diffrn_measured_fraction_theta_full 0.9985
_diffrn_measured_fraction_theta_max 0.9985
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w
_diffrn_orient_matrix_UB_11      0.01410
_diffrn_orient_matrix_UB_12      0.06223
_diffrn_orient_matrix_UB_13      0.01515
_diffrn_orient_matrix_UB_21      0.02728
_diffrn_orient_matrix_UB_22      -0.00791
_diffrn_orient_matrix_UB_23      -0.03071
_diffrn_orient_matrix_UB_31      -0.02621
_diffrn_orient_matrix_UB_32      0.02531
_diffrn_orient_matrix_UB_33      -0.04681
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_av_sigmaI/netI    0.078
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17871
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        -1.22
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.459
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.859
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_description       plate
_exptl_crystal_F_000             2640.00
_exptl_crystal_size_max          0.700
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     811
_refine_ls_number_reflns         9242
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0399
_refine_ls_shift/su_max          0.0003
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo^2^) + 0.00533(Fo^2^)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1116
_refine_ls_wR_factor_ref         0.1116
_reflns_number_gt                9242
_reflns_number_total             14990
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja8060479_si_002.cif
_cod_data_source_block           complex3
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C76 H56 Cl4 N4 O4 Ti2 '
_cod_database_code               4108924